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[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] benzoate

Formula:C13H12N2O2S Mutagenic:high Tumorigenic:high Reproductive Effective:low [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] benzoate is a drug-like molecule.
MolName[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] benzoate
MolecularFormulaC13H12N2O2S
SmilesN/C(/Cc1cccs1)=N/OC(c1ccccc1)=O
InChIInChI=1S/C13H12N2O2S/c14-12(9-11-7-4-8-18-11)15-17-13(16)10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,15)
InChIKCENYKLMWPPNUKJ-UHFFFAOYSA-N
TotalMolweight260.316
Molweight260.316
MonoisotopicMass260.061948
CLogP2.9368
CLogS-3.511
H Acceptors4
H Donors1
TotalSurfaceArea201.96
Relative PSA0.34749
PolarSurfaceArea92.92
Druglikeness-0.25542
Mutagenichigh
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms18
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
Symmetricatoms2
StereoCon

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