1-(3,4-dichlorophenyl)-3-[(E)-2-thiophen-2-ylethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Formula:C24H13N3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low 1-(3,4-dichlorophenyl)-3-[(E)-2-thiophen-2-ylethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile is not a drug-like molecule.

MolName	1-(3,4-dichlorophenyl)-3-[(E)-2-thiophen-2-ylethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
MolecularFormula	C24H13N3Cl2S
Smiles	N#Cc1c(/C=C/c2cccs2)cc(-c(cc2)cc(Cl)c2Cl)n2c1nc1c2cccc1
InChI	InChI=1S/C24H13Cl2N3S/c25-19-10-8-16(12-20(19)26)23-13-15(7-9-17-4-3-11-30-17)18(14-27)24-28-21-5-1-2-6-22(21)29(23)24/h1-13H
InChIK	BPRJQQFJKNYWQO-UHFFFAOYSA-N
TotalMolweight	446.36
Molweight	446.36
MonoisotopicMass	445.020721
CLogP	6.9129
CLogS	-10.462
H Acceptors	3
TotalSurfaceArea	326.38
Relative PSA	0.1619
PolarSurfaceArea	69.33
Druglikeness	-1.0652
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 1-(3,4-dichlorophenyl)-3-[(E)-2-thiophen-2-ylethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile | 2 - 1-(3,4-dichlorophenyl)-3-[(E)-2-thiophen-2-ylethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

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