(E)-2-(1H-benzimidazol-2-yl)-3-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C23H13N3OCl4 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-2-(1H-benzimidazol-2-yl)-3-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H13N3OCl4
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cc(Cl)cc(Cl)c1OCc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C23H13Cl4N3O/c24-16-6-5-13(18(26)9-16)12-31-22-14(8-17(25)10-19(22)27)7-15(11-28)23-29-20-3-1-2-4-21(20)30-23/h1-10H,12H2,(H,29,30)
InChIK	KJRXDIUJCQDGSK-UHFFFAOYSA-N
TotalMolweight	489.188
Molweight	489.188
MonoisotopicMass	486.98127
CLogP	6.5938
CLogS	-7.409
H Acceptors	4
H Donors	1
TotalSurfaceArea	347.57
Relative PSA	0.1396
PolarSurfaceArea	61.7
Druglikeness	-3.919
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
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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