3-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid

Formula:C23H16N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid is a drug-like molecule.

MolName	3-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
MolecularFormula	C23H16N4O5
Smiles	[O-][N+](c(cc1)ccc1-c(c(C(Nc1cc(C(O)=O)ccc1)=O)c1)nn1-c1ccccc1)=O
InChI	InChI=1S/C23H16N4O5/c28-22(24-17-6-4-5-16(13-17)23(29)30)20-14-26(18-7-2-1-3-8-18)25-21(20)15-9-11-19(12-10-15)27(31)32/h1-14H,(H,24,28)(H,29,30)
InChIK	CDLVOEXVJYKSPY-UHFFFAOYSA-N
TotalMolweight	428.403
Molweight	428.403
MonoisotopicMass	428.112071
CLogP	2.2896
CLogS	-5.114
H Acceptors	9
H Donors	2
TotalSurfaceArea	317.48
Relative PSA	0.31152
PolarSurfaceArea	130.04
Druglikeness	-0.47364
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	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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