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

Formula:C13H11N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[4-[(Z)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanoate is a drug-like molecule.

MolName	3-[4-[(Z)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanoate
MolecularFormula	C13H11N4O5
Smiles	[O-]C(CCn(cc1/C=N\O)nc1-c1cccc([N+]([O-])=O)c1)=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)/p-1
InChIK	FAERZIDQCYBZFX-UHFFFAOYSA-M
TotalMolweight	303.253
Molweight	303.253
MonoisotopicMass	303.072946
CLogP	-1.5367
CLogS	-3.07
H Acceptors	9
H Donors	1
TotalSurfaceArea	228.56
Relative PSA	0.43835
PolarSurfaceArea	136.36
Druglikeness	-1.2642
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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