4-[6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid

Formula:C23H14N3O5I Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid is not a drug-like molecule.

MolName	4-[6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
MolecularFormula	C23H14N3O5I
Smiles	[O-][N+](c1cccc(/C=C/C(N2c(cc3)ccc3C(O)=O)=Nc(ccc(I)c3)c3C2=O)c1)=O
InChI	InChI=1S/C23H14IN3O5/c24-16-7-10-20-19(13-16)22(28)26(17-8-5-15(6-9-17)23(29)30)21(25-20)11-4-14-2-1-3-18(12-14)27(31)32/h1-13H,(H,29,30)
InChIK	DKRKUZQTJLPPTN-UHFFFAOYSA-N
TotalMolweight	539.28
Molweight	539.28
MonoisotopicMass	538.99782
CLogP	3.3107
CLogS	-6.547
H Acceptors	8
H Donors	1
TotalSurfaceArea	330.85
Relative PSA	0.25589
PolarSurfaceArea	115.79
Druglikeness	-2.8581
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46875
Fragments	1
Non HAtoms	32
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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