4-[[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid

Formula:C17H14N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid
MolecularFormula	C17H14N4O3
Smiles	OC(c1ccc(COc2ccc(/C=N\n3cnnc3)cc2)cc1)=O
InChI	InChI=1S/C17H14N4O3/c22-17(23)15-5-1-14(2-6-15)10-24-16-7-3-13(4-8-16)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2,(H,22,23)
InChIK	MJUHWSNUUVREKE-UHFFFAOYSA-N
TotalMolweight	322.323
Molweight	322.323
MonoisotopicMass	322.106591
CLogP	2.0615
CLogS	-5.664
H Acceptors	7
H Donors	1
TotalSurfaceArea	252.12
Relative PSA	0.30327
PolarSurfaceArea	89.6
Druglikeness	2.862
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid | 2 - 4-[[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid

Request More Details | 4-[[4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments