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(14E)-11-(2-chlorophenyl)-14-[[5-(2,5-dichloro-4-nitrophenyl)furan-2-yl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C31H18N3O4Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (14E)-11-(2-chlorophenyl)-14-[[5-(2,5-dichloro-4-nitrophenyl)furan-2-yl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is not a drug-like molecule.
MolName(14E)-11-(2-chlorophenyl)-14-[[5-(2,5-dichloro-4-nitrophenyl)furan-2-yl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC31H18N3O4Cl3S
Smiles[O-][N+](c(cc(c(-c1ccc(/C=C2/SC3=NC(c4c(CC5)cccc4)=C5C(c(cccc4)c4Cl)N3C2=O)o1)c1)Cl)c1Cl)=O
InChIInChI=1S/C31H18Cl3N3O4S/c32-22-8-4-3-7-19(22)29-20-11-9-16-5-1-2-6-18(16)28(20)35-31-36(29)30(38)27(42-31)13-17-10-12-26(41-17)21-14-24(34)25(37(39)40)15-23(21)33/h1-8,10,12-15,29H,9,11H2/t29-/m1/s1
InChIKYKJFXEYIATXWRX-GDLZYMKVSA-N
TotalMolweight634.926
Molweight634.926
MonoisotopicMass633.008358
CLogP7.6427
CLogS-10.234
H Acceptors7
TotalSurfaceArea427.82
Relative PSA0.21065
PolarSurfaceArea116.93
Druglikeness-1.016
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsaromatic nitro
Shape Index0.45238
Fragments1
Non HAtoms42
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms5
Amides1
AcidicOxygens1
StereoConracemate

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