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2-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

Formula:C22H14N2OBr2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile is not a drug-like molecule.
MolName2-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
MolecularFormulaC22H14N2OBr2Cl2S
SmilesN#Cc1c(/N=C\c2cc(Br)cc(Br)c2OCc(ccc(Cl)c2)c2Cl)sc2c1CCC2
InChIInChI=1S/C22H14Br2Cl2N2OS/c23-14-6-13(10-28-22-17(9-27)16-2-1-3-20(16)30-22)21(18(24)7-14)29-11-12-4-5-15(25)8-19(12)26/h4-8,10H,1-3,11H2
InChIKDPVMCHMHUMOOCX-UHFFFAOYSA-N
TotalMolweight585.146
Molweight585.146
MonoisotopicMass581.857059
CLogP7.7505
CLogS-9.394
H Acceptors3
TotalSurfaceArea354.83
Relative PSA0.15622
PolarSurfaceArea73.62
Druglikeness-6.8468
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.53333
Fragments1
Non HAtoms30
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms5
StereoCon

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