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[(E)-[amino-[3-(pyridin-2-ylsulfanylmethyl)phenyl]methylidene]amino] thiophene-2-carboxylate

Formula:C18H15N3O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino-[3-(pyridin-2-ylsulfanylmethyl)phenyl]methylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
MolName[(E)-[amino-[3-(pyridin-2-ylsulfanylmethyl)phenyl]methylidene]amino] thiophene-2-carboxylate
MolecularFormulaC18H15N3O2S2
SmilesN/C(/c1cc(CSc2ncccc2)ccc1)=N/OC(c1cccs1)=O
InChIInChI=1S/C18H15N3O2S2/c19-17(21-23-18(22)15-7-4-10-24-15)14-6-3-5-13(11-14)12-25-16-8-1-2-9-20-16/h1-11H,12H2,(H2,19,21)
InChIKQGACYYOTWTYPQG-UHFFFAOYSA-N
TotalMolweight369.468
Molweight369.468
MonoisotopicMass369.060567
CLogP3.9966
CLogS-4.943
H Acceptors5
H Donors1
TotalSurfaceArea277.97
Relative PSA0.35486
PolarSurfaceArea131.11
Druglikeness-0.030606
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64
Fragments1
Non HAtoms25
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Aromatic Nitrogens1
StereoCon

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