1-(4-bromophenyl)-3-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Formula:C26H14N3BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 1-(4-bromophenyl)-3-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile is not a drug-like molecule.

MolName	1-(4-bromophenyl)-3-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
MolecularFormula	C26H14N3BrCl2
Smiles	N#Cc1c(/C=C/c(c(Cl)ccc2)c2Cl)cc(-c(cc2)ccc2Br)n2c1nc1c2cccc1
InChI	InChI=1S/C26H14BrCl2N3/c27-18-11-8-16(9-12-18)25-14-17(10-13-19-21(28)4-3-5-22(19)29)20(15-30)26-31-23-6-1-2-7-24(23)32(25)26/h1-14H
InChIK	MXVIPRRNJQPOAU-UHFFFAOYSA-N
TotalMolweight	519.228
Molweight	519.228
MonoisotopicMass	516.974812
CLogP	7.7715
CLogS	-11.286
H Acceptors	3
TotalSurfaceArea	349.07
Relative PSA	0.093047
PolarSurfaceArea	41.09
Druglikeness	-4.6009
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	5
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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