(E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]prop-2-enenitrile

Formula:C20H12N3OClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]prop-2-enenitrile
MolecularFormula	C20H12N3OClS
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(o1)ccc1Sc(cc1)ccc1Cl
InChI	InChI=1S/C20H12ClN3OS/c21-14-5-8-16(9-6-14)26-19-10-7-15(25-19)11-13(12-22)20-23-17-3-1-2-4-18(17)24-20/h1-11H,(H,23,24)
InChIK	JIWCDSDZLKNGDM-UHFFFAOYSA-N
TotalMolweight	377.854
Molweight	377.854
MonoisotopicMass	377.038959
CLogP	4.5349
CLogS	-5.091
H Acceptors	4
H Donors	1
TotalSurfaceArea	284.73
Relative PSA	0.24627
PolarSurfaceArea	90.91
Druglikeness	-2.1059
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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