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(14Z)-11-(4-chlorophenyl)-14-[(2,5-dichlorophenyl)hydrazinylidene]-13-pyridin-2-yl-2,9,11,13-tetrazatricyclo[8.3.1.03,8]tetradeca-1,3,5,7,9-pentaene-12-thione

Formula:C27H16N7Cl3S Mutagenic:none Tumorigenic:high Reproductive Effective:high (14Z)-11-(4-chlorophenyl)-14-[(2,5-dichlorophenyl)hydrazinylidene]-13-pyridin-2-yl-2,9,11,13-tetrazatricyclo[8.3.1.03,8]tetradeca-1,3,5,7,9-pentaene-12-thione is not a drug-like molecule.
MolName(14Z)-11-(4-chlorophenyl)-14-[(2,5-dichlorophenyl)hydrazinylidene]-13-pyridin-2-yl-2,9,11,13-tetrazatricyclo[8.3.1.03,8]tetradeca-1,3,5,7,9-pentaene-12-thione
MolecularFormulaC27H16N7Cl3S
SmilesS=C1N(c2ncccc2)C(/C2=N\Nc(cc(cc3)Cl)c3Cl)=Nc(cccc3)c3N=C2N1c(cc1)ccc1Cl
InChIInChI=1S/C27H16Cl3N7S/c28-16-8-11-18(12-9-16)36-25-24(35-34-22-15-17(29)10-13-19(22)30)26(33-21-6-2-1-5-20(21)32-25)37(27(36)38)23-7-3-4-14-31-23/h1-15,34H
InChIKLAMYTFYZNKXXKY-UHFFFAOYSA-N
TotalMolweight576.898
Molweight576.898
MonoisotopicMass575.025344
CLogP7.4989
CLogS-8.209
H Acceptors7
H Donors1
TotalSurfaceArea404.24
Relative PSA0.22774
PolarSurfaceArea100.57
Druglikeness1.9275
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.36842
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms1
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

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