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

Formula:C36H24N4O3 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-naphthalen-2-yl-3-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-naphthalen-2-yl-3-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]prop-2-enamide
MolecularFormula	C36H24N4O3
Smiles	N#C/C(/C(Nc1cc2ccccc2cc1)=O)=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C36H24N4O3/c37-24-30(36(41)38-31-16-15-25-9-7-8-14-28(25)22-31)21-29-23-34(26-10-3-1-4-11-26)39(35(29)27-12-5-2-6-13-27)32-17-19-33(20-18-32)40(42)43/h1-23H,(H,38,41)
InChIK	YFQDKNPMYABATA-UHFFFAOYSA-N
TotalMolweight	560.612
Molweight	560.612
MonoisotopicMass	560.184841
CLogP	6.9464
CLogS	-11.705
H Acceptors	7
H Donors	1
TotalSurfaceArea	435.4
Relative PSA	0.17306
PolarSurfaceArea	103.64
Druglikeness	-5.9585
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.44186
Fragments	1
Non HAtoms	43
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	33
Sp3Atoms	1
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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