(2Z)-3-(2-nitrophenyl)-2-(1,2,4-triazol-4-ylimino)propanoic acid

Formula:C11H9N5O4 Mutagenic:none Tumorigenic:none Reproductive Effective:low (2Z)-3-(2-nitrophenyl)-2-(1,2,4-triazol-4-ylimino)propanoic acid is a drug-like molecule.

MolName	(2Z)-3-(2-nitrophenyl)-2-(1,2,4-triazol-4-ylimino)propanoic acid
MolecularFormula	C11H9N5O4
Smiles	[O-][N+](c1c(C/C(/C(O)=O)=N/n2cnnc2)cccc1)=O
InChI	InChI=1S/C11H9N5O4/c17-11(18)9(14-15-6-12-13-7-15)5-8-3-1-2-4-10(8)16(19)20/h1-4,6-7H,5H2,(H,17,18)
InChIK	AUPOLERJULMPGV-UHFFFAOYSA-N
TotalMolweight	275.223
Molweight	275.223
MonoisotopicMass	275.065455
CLogP	-0.742
CLogS	-4.346
H Acceptors	9
H Donors	1
TotalSurfaceArea	204.24
Relative PSA	0.47434
PolarSurfaceArea	126.19
Druglikeness	-3.0121
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	2
StereoCon

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