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

Formula:C23H15N3OBrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H15N3OBrCl
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)cc(Br)c1OCc(cc1)ccc1Cl
InChI	InChI=1S/C23H15BrClN3O/c24-19-12-16(7-10-22(19)29-14-15-5-8-18(25)9-6-15)11-17(13-26)23-27-20-3-1-2-4-21(20)28-23/h1-12H,14H2,(H,27,28)
InChIK	OBROXFPCZMOUSE-UHFFFAOYSA-N
TotalMolweight	464.749
Molweight	464.749
MonoisotopicMass	463.0087
CLogP	5.501
CLogS	-6.035
H Acceptors	4
H Donors	1
TotalSurfaceArea	319.94
Relative PSA	0.15165
PolarSurfaceArea	61.7
Druglikeness	-5.709
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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