(E)-2-(1H-benzimidazol-2-yl)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C23H16N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H16N3OCl
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cccc(OCc(cccc2)c2Cl)c1
InChI	InChI=1S/C23H16ClN3O/c24-20-9-2-1-7-17(20)15-28-19-8-5-6-16(13-19)12-18(14-25)23-26-21-10-3-4-11-22(21)27-23/h1-13H,15H2,(H,26,27)
InChIK	ANFALTATYFVHBS-UHFFFAOYSA-N
TotalMolweight	385.853
Molweight	385.853
MonoisotopicMass	385.098189
CLogP	4.7758
CLogS	-5.201
H Acceptors	4
H Donors	1
TotalSurfaceArea	301.31
Relative PSA	0.16103
PolarSurfaceArea	61.7
Druglikeness	-3.919
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	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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