4-[[3-(5-nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid

Formula:C22H13N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[3-(5-nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[3-(5-nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
MolecularFormula	C22H13N3O7
Smiles	[O-][N+](c(cc1)cc(C(N2c3cc(C(Nc(cc4)ccc4C(O)=O)=O)ccc3)=O)c1C2=O)=O
InChI	InChI=1S/C22H13N3O7/c26-19(23-14-6-4-12(5-7-14)22(29)30)13-2-1-3-15(10-13)24-20(27)17-9-8-16(25(31)32)11-18(17)21(24)28/h1-11H,(H,23,26)(H,29,30)
InChIK	UYMYHEYFVDFECY-UHFFFAOYSA-N
TotalMolweight	431.359
Molweight	431.359
MonoisotopicMass	431.075352
CLogP	2.1998
CLogS	-5.455
H Acceptors	10
H Donors	2
TotalSurfaceArea	302.06
Relative PSA	0.36645
PolarSurfaceArea	149.6
Druglikeness	-3.226
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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