(E)-2-(1H-benzimidazol-2-yl)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C23H15N3OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H15N3OCl2
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C23H15Cl2N3O/c24-19-10-7-16(12-20(19)25)14-29-18-8-5-15(6-9-18)11-17(13-26)23-27-21-3-1-2-4-22(21)28-23/h1-12H,14H2,(H,27,28)
InChIK	QUDPIIGSOCKOCG-UHFFFAOYSA-N
TotalMolweight	420.298
Molweight	420.298
MonoisotopicMass	419.059216
CLogP	5.3818
CLogS	-5.937
H Acceptors	4
H Donors	1
TotalSurfaceArea	316.73
Relative PSA	0.15319
PolarSurfaceArea	61.7
Druglikeness	-3.919
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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