2-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]benzoic acid

Formula:C10H10N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	2-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]benzoic acid
MolecularFormula	C10H10N6O2
Smiles	Nn1c(N/N=C\c(cccc2)c2C(O)=O)nnc1
InChI	InChI=1S/C10H10N6O2/c11-16-6-13-15-10(16)14-12-5-7-3-1-2-4-8(7)9(17)18/h1-6H,11H2,(H,14,15)(H,17,18)
InChIK	MJZNJVCIUZZBNS-UHFFFAOYSA-N
TotalMolweight	246.229
Molweight	246.229
MonoisotopicMass	246.086524
CLogP	2.5844
CLogS	-4.767
H Acceptors	8
H Donors	3
TotalSurfaceArea	188.58
Relative PSA	0.49417
PolarSurfaceArea	118.42
Druglikeness	1.7283
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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