Compound 72
  CheckMol                        TMF02:r0:m0
MF=C19H19ClN2 MW=310.83
 22 25  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072   -0.7419   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3189   -2.2257   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6143    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6261   -2.9558   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9215   -0.7066   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9333   -2.2022   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4141   -4.4279   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3346   -2.7321   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4387   -5.5113   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7821   -4.1452   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.4416   -1.7076   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9460   -5.3935   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.2895   -4.2394   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.1236   -0.2355   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8783   -2.1315   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6055   -6.7242   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.9489   -5.5701   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.2306    0.7890   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9852   -1.1070   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1128   -6.8184   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.6673    0.3651   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  2  0  0
  5  8  1  0  1  0  0
  7  9  1  0  1  0  0
  8 10  1  0  1  0  0
  9 11  1  0  1  0  0
  9 12  2  0  0  0  0
 10 13  1  0  1  0  0
 11 14 01  0  1  0  0
 12 15  1  0  1  0  0
 12 16  1  0  1  0  0
 13 17 01  0  1  0  0
 14 18 02  0  1  0  0
 15 19  1  0  1  0  0
 16 20  1  0  1  0  0
 17 21 02  0  1  0  0
 19 22  1  0  1  0  0
  6  7 01  0  1  0  0
 11 13 02  0  2  0  0
 18 21 01  0  1  0  0
 20 22  1  0  1  0  0
M  END

2D Structure

Desloratadine

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Chemical Name - Desloratadine
Mol Weight - 310.827
Smiles - Clc(cc1)cc(CCc2c3nccc2)c1C3=C1CCNCC1

Property Name	Property Value
Mol Name	Desloratadine
Molweight	310.827
Monoisotopic Mass	310.123675
Clogp	4.0583
Clogs	-4.241
H Acceptors	2
H Donors	1
Total Surface Area	237.14
Relative Psa	0.094585
Polar Surface Area	24.92
Druglikeness	-0.6127
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.45455
Molecular Flexibility	0.18662
Molecular Complexity	0.9148
Fragments	1
Non H Atoms	22
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	7
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	Clc(cc1)cc(CCc2c3nccc2)c1C3=C1CCNCC1
InChIKey	InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
InChI	JAUOIFJMECXRGI-UHFFFAOYSA-N

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1 — Desloratadine | 2 — Desloratadine