[(E)-2-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)ethenyl] 2-chlorobenzoate

Formula:C29H20N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-2-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)ethenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName	[(E)-2-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)ethenyl] 2-chlorobenzoate
MolecularFormula	C29H20N2O2Cl2
Smiles	O=C(c(cccc1)c1Cl)O/C(/c(cccc1)c1Cl)=C/c1nc(cccc2)c2n1Cc1ccccc1
InChI	InChI=1S/C29H20Cl2N2O2/c30-23-14-6-4-12-21(23)27(35-29(34)22-13-5-7-15-24(22)31)18-28-32-25-16-8-9-17-26(25)33(28)19-20-10-2-1-3-11-20/h1-18H,19H2
InChIK	WJPJTAGUEBZGRN-UHFFFAOYSA-N
TotalMolweight	499.396
Molweight	499.396
MonoisotopicMass	498.090182
CLogP	7.2813
CLogS	-6.285
H Acceptors	4
TotalSurfaceArea	372.16
Relative PSA	0.10985
PolarSurfaceArea	44.12
Druglikeness	2.1027
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - [(E)-2-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)ethenyl] 2-chlorobenzoate | 2 - [(E)-2-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)ethenyl] 2-chlorobenzoate

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