(E)-3-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]-2-cyano-N-naphthalen-2-ylprop-2-enamide

Formula:C36H24N3OBr Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-3-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]-2-cyano-N-naphthalen-2-ylprop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]-2-cyano-N-naphthalen-2-ylprop-2-enamide
MolecularFormula	C36H24N3OBr
Smiles	N#C/C(/C(Nc1cc2ccccc2cc1)=O)=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1Br
InChI	InChI=1S/C36H24BrN3O/c37-31-16-19-33(20-17-31)40-34(26-10-3-1-4-11-26)23-29(35(40)27-12-5-2-6-13-27)21-30(24-38)36(41)39-32-18-15-25-9-7-8-14-28(25)22-32/h1-23H,(H,39,41)
InChIK	FLXLNVYEXLGAQY-UHFFFAOYSA-N
TotalMolweight	594.511
Molweight	594.511
MonoisotopicMass	593.110273
CLogP	8.5932
CLogS	-12.079
H Acceptors	4
H Donors	1
TotalSurfaceArea	430.36
Relative PSA	0.1044
PolarSurfaceArea	57.82
Druglikeness	-2.6601
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.43902
Fragments	1
Non HAtoms	41
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	33
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon

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