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

Formula:C22H14N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-nitrophenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(4-nitrophenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
MolecularFormula	C22H14N4O5
Smiles	[O-][N+](c(cc1)ccc1N(C(/C=C/c1cccc([N+]([O-])=O)c1)=Nc1c2cccc1)C2=O)=O
InChI	InChI=1S/C22H14N4O5/c27-22-19-6-1-2-7-20(19)23-21(13-8-15-4-3-5-18(14-15)26(30)31)24(22)16-9-11-17(12-10-16)25(28)29/h1-14H
InChIK	CWXASDWLGBICTQ-UHFFFAOYSA-N
TotalMolweight	414.376
Molweight	414.376
MonoisotopicMass	414.096421
CLogP	2.4669
CLogS	-5.978
H Acceptors	9
TotalSurfaceArea	304.14
Relative PSA	0.29243
PolarSurfaceArea	124.31
Druglikeness	-3.3695
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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