3-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid

Formula:C23H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid is a drug-like molecule.

MolName	3-[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
MolecularFormula	C23H15N3O5
Smiles	[O-][N+](c1ccc(/C=C/C(N2c3cc(C(O)=O)ccc3)=Nc(cccc3)c3C2=O)cc1)=O
InChI	InChI=1S/C23H15N3O5/c27-22-19-6-1-2-7-20(19)24-21(13-10-15-8-11-17(12-9-15)26(30)31)25(22)18-5-3-4-16(14-18)23(28)29/h1-14H,(H,28,29)
InChIK	SFDYASXFGZGOKV-UHFFFAOYSA-N
TotalMolweight	413.388
Molweight	413.388
MonoisotopicMass	413.101172
CLogP	2.8736
CLogS	-5.531
H Acceptors	8
H Donors	1
TotalSurfaceArea	304.57
Relative PSA	0.27797
PolarSurfaceArea	115.79
Druglikeness	-3.4083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
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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