3-[(E)-3-(2,5-diphenylpyrazol-3-yl)prop-2-enoyl]-6-nitro-4-phenyl-4a,8a-dihydro-1H-quinolin-2-one

Formula:C33H24N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-3-(2,5-diphenylpyrazol-3-yl)prop-2-enoyl]-6-nitro-4-phenyl-4a,8a-dihydro-1H-quinolin-2-one is not a drug-like molecule.

MolName	3-[(E)-3-(2,5-diphenylpyrazol-3-yl)prop-2-enoyl]-6-nitro-4-phenyl-4a,8a-dihydro-1H-quinolin-2-one
MolecularFormula	C33H24N4O4
Smiles	[O-][N+](C(C=CC1N2)=CC1C(c1ccccc1)=C(C(/C=C/c1cc(-c3ccccc3)nn1-c1ccccc1)=O)C2=O)=O
InChI	InChI=1S/C33H24N4O4/c38-30(19-17-25-21-29(22-10-4-1-5-11-22)35-36(25)24-14-8-3-9-15-24)32-31(23-12-6-2-7-13-23)27-20-26(37(40)41)16-18-28(27)34-33(32)39/h1-21,27-28H,(H,34,39)
InChIK	IAIKSIAOVNGYEZ-UHFFFAOYSA-N
TotalMolweight	540.578
Molweight	540.578
MonoisotopicMass	540.179756
CLogP	3.0748
CLogS	-6.025
H Acceptors	8
H Donors	1
TotalSurfaceArea	409.76
Relative PSA	0.20939
PolarSurfaceArea	109.81
Druglikeness	1.1474
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.41463
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 3-[(E)-3-(2,5-diphenylpyrazol-3-yl)prop-2-enoyl]-6-nitro-4-phenyl-4a,8a-dihydro-1H-quinolin-2-one | 2 - 3-[(E)-3-(2,5-diphenylpyrazol-3-yl)prop-2-enoyl]-6-nitro-4-phenyl-4a,8a-dihydro-1H-quinolin-2-one

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