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[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C25H19N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
MolName[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormulaC25H19N3O4S2
SmilesO=C(COC(c1c(CC/C2=C\c3cccs3)c2nc2ccccc12)=O)NNC(c1cccs1)=O
InChIInChI=1S/C25H19N3O4S2/c29-21(27-28-24(30)20-8-4-12-34-20)14-32-25(31)22-17-6-1-2-7-19(17)26-23-15(9-10-18(22)23)13-16-5-3-11-33-16/h1-8,11-13H,9-10,14H2,(H,27,29)(H,28,30)
InChIKGXKNFAOISZKOGE-UHFFFAOYSA-N
TotalMolweight489.575
Molweight489.575
MonoisotopicMass489.081697
CLogP3.5903
CLogS-6.147
H Acceptors7
H Donors2
TotalSurfaceArea356.68
Relative PSA0.34689
PolarSurfaceArea153.87
Druglikeness4.2098
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.52941
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms4
Aromatic Nitrogens1
StereoCon

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