3-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-1-(3-fluorophenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Formula:C27H16N3OF3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-1-(3-fluorophenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is not a drug-like molecule.

MolName	3-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]-1-(3-fluorophenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
MolecularFormula	C27H16N3OF3
Smiles	N#Cc1c(/C=C/c(cccc2)c2OC(F)F)cc(-c2cccc(F)c2)n2c1nc1c2cccc1
InChI	InChI=1S/C27H16F3N3O/c28-20-8-5-7-19(14-20)24-15-18(13-12-17-6-1-4-11-25(17)34-27(29)30)21(16-31)26-32-22-9-2-3-10-23(22)33(24)26/h1-15,27H
InChIK	SGJJLEISVXTBTP-UHFFFAOYSA-N
TotalMolweight	455.438
Molweight	455.438
MonoisotopicMass	455.124546
CLogP	6.1045
CLogS	-9.916
H Acceptors	4
TotalSurfaceArea	341.15
Relative PSA	0.12452
PolarSurfaceArea	50.32
Druglikeness	-5.651
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.41176
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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