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[(E)-[1-amino-3-(2,4-difluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate

Formula:C14H11N3O3F2S Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-3-(2,4-difluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
MolName[(E)-[1-amino-3-(2,4-difluoroanilino)-3-oxopropylidene]amino] thiophene-2-carboxylate
MolecularFormulaC14H11N3O3F2S
SmilesN/C(/CC(Nc(ccc(F)c1)c1F)=O)=N/OC(c1cccs1)=O
InChIInChI=1S/C14H11F2N3O3S/c15-8-3-4-10(9(16)6-8)18-13(20)7-12(17)19-22-14(21)11-2-1-5-23-11/h1-6H,7H2,(H2,17,19)(H,18,20)
InChIKSMKAVGHSLMSLLD-UHFFFAOYSA-N
TotalMolweight339.321
Molweight339.321
MonoisotopicMass339.048918
CLogP2.537
CLogS-4.248
H Acceptors6
H Donors2
TotalSurfaceArea243.87
Relative PSA0.38824
PolarSurfaceArea122.02
Druglikeness-0.092882
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.65217
Fragments1
Non HAtoms23
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
Amides1
StereoCon

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