2-[(E)-2-(2-chlorophenyl)ethenyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

Formula:C26H16N3OCl Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(E)-2-(2-chlorophenyl)ethenyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile is not a drug-like molecule.

MolName	2-[(E)-2-(2-chlorophenyl)ethenyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
MolecularFormula	C26H16N3OCl
Smiles	N#CC(C(c1ccccc1)=C1/C=C/c(cccc2)c2Cl)=C(Nc2c3cccc2)N3C1=O
InChI	InChI=1S/C26H16ClN3O/c27-21-11-5-4-8-17(21)14-15-19-24(18-9-2-1-3-10-18)20(16-28)25-29-22-12-6-7-13-23(22)30(25)26(19)31/h1-15,29H
InChIK	IHPDPMJLCQWULZ-UHFFFAOYSA-N
TotalMolweight	421.886
Molweight	421.886
MonoisotopicMass	421.098189
CLogP	5.1191
CLogS	-7.619
H Acceptors	4
H Donors	1
TotalSurfaceArea	314.76
Relative PSA	0.1322
PolarSurfaceArea	56.13
Druglikeness	-0.96019
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.41935
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	2
Amides	1
StereoCon

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