3-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one

Formula:C33H22N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one is not a drug-like molecule.

MolName	3-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one
MolecularFormula	C33H22N4O4
Smiles	[O-][N+](c(cc1)cc(C(c2ccccc2)=C2C(/C=C/c3cn(-c4ccccc4)nc3-c3ccccc3)=O)c1NC2=O)=O
InChI	InChI=1S/C33H22N4O4/c38-29(19-16-24-21-36(25-14-8-3-9-15-25)35-32(24)23-12-6-2-7-13-23)31-30(22-10-4-1-5-11-22)27-20-26(37(40)41)17-18-28(27)34-33(31)39/h1-21H,(H,34,39)
InChIK	NUCUSDXHWWDMLG-UHFFFAOYSA-N
TotalMolweight	538.562
Molweight	538.562
MonoisotopicMass	538.164106
CLogP	4.0572
CLogS	-7.176
H Acceptors	8
H Donors	1
TotalSurfaceArea	406.81
Relative PSA	0.21091
PolarSurfaceArea	109.81
Druglikeness	0.44233
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.41463
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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