(E)-2-(3-nitrobenzoyl)-3-(1,2,5-triphenylpyrrol-3-yl)prop-2-enenitrile

Formula:C32H21N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(3-nitrobenzoyl)-3-(1,2,5-triphenylpyrrol-3-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(3-nitrobenzoyl)-3-(1,2,5-triphenylpyrrol-3-yl)prop-2-enenitrile
MolecularFormula	C32H21N3O3
Smiles	N#C/C(/C(c1cccc([N+]([O-])=O)c1)=O)=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1
InChI	InChI=1S/C32H21N3O3/c33-22-27(32(36)25-15-10-18-29(20-25)35(37)38)19-26-21-30(23-11-4-1-5-12-23)34(28-16-8-3-9-17-28)31(26)24-13-6-2-7-14-24/h1-21H
InChIK	RCOXVNPDZLLJOC-UHFFFAOYSA-N
TotalMolweight	495.537
Molweight	495.537
MonoisotopicMass	495.158292
CLogP	5.9195
CLogS	-10.441
H Acceptors	6
TotalSurfaceArea	389.34
Relative PSA	0.1641
PolarSurfaceArea	91.61
Druglikeness	-7.3362
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.39474
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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