Software for chemicals, Pharmaceutical & Biotech Industry

Compound 99
  CheckMol                        TMF02:r0:m0
MF=C25H25N7O3 MW=471.52
 35 38  0  5  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4960   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3298   -2.2322   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2823   -2.2322   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3417   -3.7282   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6478   -1.4723   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765   -1.4723   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2704   -3.7282   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0475   -4.4644   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6596   -4.4644   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9657   -2.2084   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8707   -2.2084   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5646   -4.4644   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0594   -5.9604   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6715   -5.9604   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2836   -1.4485   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2955   -1.7335   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8588   -3.7045   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3773   -6.6966   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6016   -2.1847   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2955    0.0712   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1741   -2.9446   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2836   -4.1557   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    7.6702   -2.9327   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7348   -5.5805   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063   -4.2269   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9023   -4.2150   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.6385   -5.5092   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.6385   -2.8971   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   12.1345   -5.4973   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   12.1345   -2.8852   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   12.8707   -4.1794   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   14.3667   -4.1675   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1147   -2.8496   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1147   -5.4617   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  4  8 01  0  1  0  0
  5  9 02  0  1  0  0
  5 10 01  0  1  0  0
  6 11  1  0  0  0  0
  7 12 01  0  1  0  0
  8 13 02  0  1  0  0
  9 14 01  0  1  0  0
 10 15 02  0  1  0  0
 11 16  1  0  0  0  0
 12 17 01  0  1  0  0
 12 18 02  0  2  0  0
 14 19 02  0  1  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22 02  0  1  0  0
 18 23 01  0  1  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28 02  0  1  0  0
 27 29 01  0  1  0  0
 28 30 01  0  1  0  0
 29 31 02  0  1  0  0
 30 32 02  0  1  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 13 18 01  0  1  0  0
 15 19 01  0  1  0  0
 22 23 01  0  1  0  0
 31 32 01  0  1  0  0
M  END

Dabigatran

₹ 0.00 0.00

Chemical Name - Dabigatran
Mol Weight - 471.52
Smiles - Cn1c(ccc(C(N(CCC(O)=O)c2ncccc2)=O)c2)c2nc1CNc(cc1)ccc1C(N)=N

Property Name	Property Value
Mol Name	Dabigatran
Molweight	471.52
Monoisotopic Mass	471.201888
Clogp	1.7787
Clogs	-2.689
H Acceptors	10
H Donors	4
Total Surface Area	360.08
Relative Psa	0.31624
Polar Surface Area	150.22
Druglikeness	4.5853
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54286
Molecular Flexibility	0.50994
Molecular Complexity	0.86659
Fragments	1
Non H Atoms	35
Non Ch Atoms	10
Electronegative Atoms	10
Rotatable Bonds	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3 Atoms	5
Symmetric Atoms	2
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	3
Basic Nitrogens	2
Acidic Oxygens	1
Smiles	Cn1c(ccc(C(N(CCC(O)=O)c2ncccc2)=O)c2)c2nc1CNc(cc1)ccc1C(N)=N
InChIKey
InChI	C25H25N7O3

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile , trade leads and products are user generated content.

Molecule Properties are generated theoretically any objection please contact us

Shipping

Usually delivered in 3-4 days

Enter pincode for exact delivery dates/charges

Credit / Debit Card Payment

We accept all major credit / debit card for payment, you can also pay through online banking.

Cash On Delivery

If Available. Select Cash on Delivery (CoD) payment option while placing the order and later, pay in cash at the time of actual delivery of product. No advance payment needed.

Click to Load Molecule
1 - Dabigatran
2 - Dabigatran

Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Dabigatran