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(7Z)-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile

Formula:C26H16N2OCl2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (7Z)-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is not a drug-like molecule.
MolName(7Z)-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
MolecularFormulaC26H16N2OCl2S3
SmilesN#Cc(c(SCC(c(ccc(Cl)c1)c1Cl)=O)nc1c2CC/C1=C/c1cccs1)c2-c1cccs1
InChIInChI=1S/C26H16Cl2N2OS3/c27-16-6-8-18(21(28)12-16)22(31)14-34-26-20(13-29)24(23-4-2-10-33-23)19-7-5-15(25(19)30-26)11-17-3-1-9-32-17/h1-4,6,8-12H,5,7,14H2
InChIKAYECNNRNIVXRHA-UHFFFAOYSA-N
TotalMolweight539.53
Molweight539.53
MonoisotopicMass537.980177
CLogP7.2464
CLogS-9.45
H Acceptors3
TotalSurfaceArea383.46
Relative PSA0.24978
PolarSurfaceArea135.53
Druglikeness-2.9795
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.47059
Fragments1
Non HAtoms34
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms4
Aromatic Nitrogens1
StereoCon

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