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Compound 72
  CheckMol                        TMF02:r0:m0
MF=C19H18ClN3O5S MW=435.88
 29 32  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4937   -0.1411   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.5052    0.9762   -0.0000 S   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2464   -1.4231   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8812    0.3764   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7166   -1.1056   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.1867    1.1291   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1985    2.6345   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4922    0.3881   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7977    1.1408   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1032    0.3999   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2679   -1.0703   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4793    1.0232   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7381   -1.3643   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4908   -0.0706   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3614   -2.7169   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9845    0.0941   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -13.6078    1.4702   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -13.8783   -1.1056   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -15.1015    1.6348   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -15.3720   -0.9409   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -15.9954    0.4352   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -17.4890    0.5998   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3829   -0.5998   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1124    1.9759   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7831   -1.9524   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.8766   -0.4352   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6061    2.1406   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4999    0.9409   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 01  0  1  0  0
  2  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  1  0  0
 11 13  1  0  1  0  0
 12 14  1  0  1  0  0
 13 15  1  0  1  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18 02  0  1  0  0
 17 19 01  0  1  0  0
 18 20 01  0  1  0  0
 19 21 02  0  1  0  0
 20 22 02  0  1  0  0
 22 23  1  0  0  0  0
 23 24  1  0  1  0  0
 23 25  1  0  1  0  0
 24 26  2  0  0  0  0
 24 27  1  0  1  0  0
 25 28  1  0  1  0  0
 27 29  1  0  1  0  0
  5  6 02  0  1  0  0
 14 15  1  0  1  0  0
 21 22 01  0  1  0  0
 28 29  1  0  1  0  0
M  END

Rivaroxaban

₹ 0.00 0.00

Chemical Name - Rivaroxaban
Mol Weight - 435.887
Smiles - O=C(c(s1)ccc1Cl)NCC(CN1c(cc2)ccc2N(CCOC2)C2=O)OC1=O

Property Name	Property Value
Mol Name	Rivaroxaban
Molweight	435.887
Monoisotopic Mass	435.065569
Clogp	1.9744
Clogs	-4.558
H Acceptors	8
H Donors	1
Total Surface Area	303.99
Relative Psa	0.32251
Polar Surface Area	116.42
Druglikeness	-0.1021
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.62069
Molecular Flexibility	0.41815
Molecular Complexity	0.7971
Fragments	1
Non H Atoms	29
Non Ch Atoms	10
Electronegative Atoms	10
Stereo Centers	1
Rotatable Bonds	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	8
Symmetric Atoms	2
Amides	3
Smiles	O=C(c(s1)ccc1Cl)NCC(CN1c(cc2)ccc2N(CCOC2)C2=O)OC1=O
InChIKey
InChI	C19H18N3O5ClS

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Rivaroxaban