2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C17H15N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName2-[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormulaC17H15N2O5Cl
SmilesOC(COc1ccc(/C=N\NC(COc(cc2)ccc2Cl)=O)cc1)=O
InChIInChI=1S/C17H15ClN2O5/c18-13-3-7-15(8-4-13)24-10-16(21)20-19-9-12-1-5-14(6-2-12)25-11-17(22)23/h1-9H,10-11H2,(H,20,21)(H,22,23)
InChIKWFFRYHODMIQIEC-UHFFFAOYSA-N
TotalMolweight362.768
Molweight362.768
MonoisotopicMass362.06695
CLogP2.4425
CLogS-4.03
H Acceptors7
H Donors2
TotalSurfaceArea274.03
Relative PSA0.29978
PolarSurfaceArea97.22
Druglikeness4.2452
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.76
Fragments1
Non HAtoms25
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms4
AcidicOxygens1
StereoCon

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