(E)-2-(1H-benzimidazol-2-yl)-3-(2-chloro-5-nitrophenyl)prop-2-enenitrile

Formula:C16H9N4O2Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-(2-chloro-5-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-(2-chloro-5-nitrophenyl)prop-2-enenitrile
MolecularFormula	C16H9N4O2Cl
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc(cc1)[N+]([O-])=O)c1Cl
InChI	InChI=1S/C16H9ClN4O2/c17-13-6-5-12(21(22)23)8-10(13)7-11(9-18)16-19-14-3-1-2-4-15(14)20-16/h1-8H,(H,19,20)
InChIK	INUBCYSSZPPFMI-UHFFFAOYSA-N
TotalMolweight	324.726
Molweight	324.726
MonoisotopicMass	324.041403
CLogP	2.3357
CLogS	-4.32
H Acceptors	6
H Donors	1
TotalSurfaceArea	241.46
Relative PSA	0.28551
PolarSurfaceArea	98.29
Druglikeness	-8.8339
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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