(Z)-2-(1H-benzimidazol-2-yl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile

Formula:C20H11N3OCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (Z)-2-(1H-benzimidazol-2-yl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(1H-benzimidazol-2-yl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H11N3OCl2
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C20H11Cl2N3O/c21-13-5-7-16(22)15(10-13)19-8-6-14(26-19)9-12(11-23)20-24-17-3-1-2-4-18(17)25-20/h1-10H,(H,24,25)
InChIK	QBVZGXUTVCTABJ-UHFFFAOYSA-N
TotalMolweight	380.233
Molweight	380.233
MonoisotopicMass	379.027916
CLogP	4.9726
CLogS	-6.056
H Acceptors	4
H Donors	1
TotalSurfaceArea	282.66
Relative PSA	0.1862
PolarSurfaceArea	65.61
Druglikeness	-2.4917
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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