3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(3,4-dichlorophenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Formula:C27H15N3O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(3,4-dichlorophenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is not a drug-like molecule.

MolName	3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(3,4-dichlorophenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
MolecularFormula	C27H15N3O2Cl2
Smiles	N#Cc1c(/C=C/c(cc2)cc3c2OCO3)cc(-c(cc2)cc(Cl)c2Cl)n2c1nc1c2cccc1
InChI	InChI=1S/C27H15Cl2N3O2/c28-20-9-8-18(12-21(20)29)24-13-17(7-5-16-6-10-25-26(11-16)34-15-33-25)19(14-30)27-31-22-3-1-2-4-23(22)32(24)27/h1-13H,15H2
InChIK	RCXIKSXFUNTSNU-UHFFFAOYSA-N
TotalMolweight	484.341
Molweight	484.341
MonoisotopicMass	483.054131
CLogP	7.1577
CLogS	-11.163
H Acceptors	5
TotalSurfaceArea	350.7
Relative PSA	0.14964
PolarSurfaceArea	59.55
Druglikeness	-2.8713
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	3
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(3,4-dichlorophenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile | 2 - 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(3,4-dichlorophenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

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