2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one

Formula:C31H22N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
MolecularFormula	C31H22N4O3
Smiles	[O-][N+](c(cccc1)c1N(C(/C=C/c1cn(Cc2ccccc2)c2c1cccc2)=Nc1c2cccc1)C2=O)=O
InChI	InChI=1S/C31H22N4O3/c36-31-25-13-4-6-14-26(25)32-30(34(31)28-16-8-9-17-29(28)35(37)38)19-18-23-21-33(20-22-10-2-1-3-11-22)27-15-7-5-12-24(23)27/h1-19,21H,20H2
InChIK	QIKVVUSTQQWKNJ-UHFFFAOYSA-N
TotalMolweight	498.541
Molweight	498.541
MonoisotopicMass	498.169191
CLogP	4.9182
CLogS	-6.496
H Acceptors	7
TotalSurfaceArea	377.79
Relative PSA	0.17309
PolarSurfaceArea	83.42
Druglikeness	-1.9567
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42105
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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