2-[2-[(E)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C15H14N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(E)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName2-[2-[(E)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormulaC15H14N2O4S
SmilesOC(COc1c(/C=N/NC(Cc2cccs2)=O)cccc1)=O
InChIInChI=1S/C15H14N2O4S/c18-14(8-12-5-3-7-22-12)17-16-9-11-4-1-2-6-13(11)21-10-15(19)20/h1-7,9H,8,10H2,(H,17,18)(H,19,20)
InChIKXOBVHIHYRVGDJY-UHFFFAOYSA-N
TotalMolweight318.352
Molweight318.352
MonoisotopicMass318.067428
CLogP2.1263
CLogS-3.489
H Acceptors6
H Donors2
TotalSurfaceArea244.55
Relative PSA0.37829
PolarSurfaceArea116.23
Druglikeness6.158
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.63636
Fragments1
Non HAtoms22
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms4
AcidicOxygens1
StereoCon

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