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[2-(5-chlorothiophen-2-yl)-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C27H18NO5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-(5-chlorothiophen-2-yl)-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.
MolName[2-(5-chlorothiophen-2-yl)-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormulaC27H18NO5ClS
SmilesO=C(COC(c1c(CC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)=O)c(s1)ccc1Cl
InChIInChI=1S/C27H18ClNO5S/c28-24-10-9-23(35-24)20(30)13-32-27(31)25-17-3-1-2-4-19(17)29-26-16(6-7-18(25)26)11-15-5-8-21-22(12-15)34-14-33-21/h1-5,8-12H,6-7,13-14H2
InChIKQFBQSMUQNBISQT-UHFFFAOYSA-N
TotalMolweight503.961
Molweight503.961
MonoisotopicMass503.059421
CLogP6.0028
CLogS-7.761
H Acceptors6
TotalSurfaceArea355.75
Relative PSA0.24571
PolarSurfaceArea102.96
Druglikeness2.6533
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.51429
Fragments1
Non HAtoms35
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms7
Aromatic Nitrogens1
StereoCon

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