3-[4-[(Z)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanoic acid

Formula:C13H12N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[4-[(Z)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanoic acid is a drug-like molecule.

MolName	3-[4-[(Z)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanoic acid
MolecularFormula	C13H12N4O5
Smiles	[O-][N+](c1cc(-c2nn(CCC(O)=O)cc2/C=N\O)ccc1)=O
InChI	InChI=1S/C13H12N4O5/c18-12(19)4-5-16-8-10(7-14-20)13(15-16)9-2-1-3-11(6-9)17(21)22/h1-3,6-8,20H,4-5H2,(H,18,19)
InChIK	FAERZIDQCYBZFX-UHFFFAOYSA-N
TotalMolweight	304.261
Molweight	304.261
MonoisotopicMass	304.080771
CLogP	0.5393
CLogS	-3.07
H Acceptors	9
H Donors	2
TotalSurfaceArea	227.38
Relative PSA	0.43544
PolarSurfaceArea	133.53
Druglikeness	-1.4887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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