4-[(E)-2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethenyl]benzonitrile

Formula:C23H15N3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethenyl]benzonitrile is not a drug-like molecule.

MolName	4-[(E)-2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethenyl]benzonitrile
MolecularFormula	C23H15N3Cl2
Smiles	N#Cc1ccc(/C=C/c2nc(cccc3)c3n2Cc(cc2)cc(Cl)c2Cl)cc1
InChI	InChI=1S/C23H15Cl2N3/c24-19-11-9-18(13-20(19)25)15-28-22-4-2-1-3-21(22)27-23(28)12-10-16-5-7-17(14-26)8-6-16/h1-13H,15H2
InChIK	HGIPDXVPKVVTFE-UHFFFAOYSA-N
TotalMolweight	404.299
Molweight	404.299
MonoisotopicMass	403.064301
CLogP	5.8936
CLogS	-5.945
H Acceptors	3
TotalSurfaceArea	308.15
Relative PSA	0.1019
PolarSurfaceArea	41.61
Druglikeness	-2.2032
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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