2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]acetic acid

Formula:C12H10N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]acetic acid is a drug-like molecule.

MolName2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]acetic acid
MolecularFormulaC12H10N2O4S
SmilesNC(S/C1=C\c(cccc2)c2OCC(O)=O)=NC1=O
InChIInChI=1S/C12H10N2O4S/c13-12-14-11(17)9(19-12)5-7-3-1-2-4-8(7)18-6-10(15)16/h1-5H,6H2,(H,15,16)(H2,13,14,17)
InChIKXXUSMVFDMPUXAG-UHFFFAOYSA-N
TotalMolweight278.287
Molweight278.287
MonoisotopicMass278.036128
CLogP-0.001
CLogS-3.082
H Acceptors6
H Donors2
TotalSurfaceArea199.06
Relative PSA0.46946
PolarSurfaceArea127.28
Druglikeness2.4664
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57895
Fragments1
Non HAtoms19
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms4
BasicNitrogens1
AcidicOxygens1
StereoCon

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