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

Formula:C26H15N3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[(E)-2-(2-bromophenyl)ethenyl]-1-(3-fluorophenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is not a drug-like molecule.

MolName	3-[(E)-2-(2-bromophenyl)ethenyl]-1-(3-fluorophenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
MolecularFormula	C26H15N3BrF
Smiles	N#Cc1c(/C=C/c(cccc2)c2Br)cc(-c2cc(F)ccc2)n2c1nc1c2cccc1
InChI	InChI=1S/C26H15BrFN3/c27-22-9-2-1-6-17(22)12-13-18-15-25(19-7-5-8-20(28)14-19)31-24-11-4-3-10-23(24)30-26(31)21(18)16-29/h1-15H
InChIK	OQUBCTQYKJKQIR-UHFFFAOYSA-N
TotalMolweight	468.328
Molweight	468.328
MonoisotopicMass	467.043336
CLogP	6.6603
CLogS	-10.128
H Acceptors	3
TotalSurfaceArea	324.58
Relative PSA	0.10007
PolarSurfaceArea	41.09
Druglikeness	-6.0085
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
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	5
Aromatic Atoms	25
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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