2-[2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetate

Formula:C17H15N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.

MolName2-[2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetate
MolecularFormulaC17H15N2O4
Smiles[O-]C(COc1c(/C=N\NC(Cc2ccccc2)=O)cccc1)=O
InChIInChI=1S/C17H16N2O4/c20-16(10-13-6-2-1-3-7-13)19-18-11-14-8-4-5-9-15(14)23-12-17(21)22/h1-9,11H,10,12H2,(H,19,20)(H,21,22)/p-1
InChIKOKLQDWMQYRWFIC-UHFFFAOYSA-M
TotalMolweight311.316
Molweight311.316
MonoisotopicMass311.103183
CLogP0.1837
CLogS-3.479
H Acceptors6
H Donors1
TotalSurfaceArea249.79
Relative PSA0.29357
PolarSurfaceArea90.82
Druglikeness4.2659
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65217
Fragments1
Non HAtoms23
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms2
AcidicOxygens1
StereoCon

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