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

Formula:C11H12N6O3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[2-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C11H12N6O3
Smiles	Nn1c(N/N=C\c(cccc2)c2OCC(O)=O)nnc1
InChI	InChI=1S/C11H12N6O3/c12-17-7-14-16-11(17)15-13-5-8-3-1-2-4-9(8)20-6-10(18)19/h1-5,7H,6,12H2,(H,15,16)(H,18,19)
InChIK	OXEMUZLKRIESFN-UHFFFAOYSA-N
TotalMolweight	276.255
Molweight	276.255
MonoisotopicMass	276.097089
CLogP	2.1593
CLogS	-4.547
H Acceptors	9
H Donors	3
TotalSurfaceArea	212.34
Relative PSA	0.48597
PolarSurfaceArea	127.65
Druglikeness	1.7784
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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