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

Formula:C23H14N3OBrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H14N3OBrCl2
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)cc(Br)c1OCc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C23H14BrCl2N3O/c24-18-10-14(5-8-22(18)30-13-15-6-7-17(25)11-19(15)26)9-16(12-27)23-28-20-3-1-2-4-21(20)29-23/h1-11H,13H2,(H,28,29)
InChIK	XVYUZYXVROXOIM-UHFFFAOYSA-N
TotalMolweight	499.194
Molweight	499.194
MonoisotopicMass	496.969727
CLogP	6.107
CLogS	-6.771
H Acceptors	4
H Donors	1
TotalSurfaceArea	335.36
Relative PSA	0.14468
PolarSurfaceArea	61.7
Druglikeness	-5.709
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
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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