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N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzamide

Formula:C25H17N4O5ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzamide is not a drug-like molecule.
MolNameN-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]benzamide
MolecularFormulaC25H17N4O5ClS
Smiles[O-][N+](c(cc(/C=N\NC(c1ccc(CN(c2cccc3cccc4c23)S4(=O)=O)cc1)=O)cc1)c1Cl)=O
InChIInChI=1S/C25H17ClN4O5S/c26-20-12-9-17(13-22(20)30(32)33)14-27-28-25(31)19-10-7-16(8-11-19)15-29-21-5-1-3-18-4-2-6-23(24(18)21)36(29,34)35/h1-14H,15H2,(H,28,31)
InChIKGWGSKRUBSDUCDS-UHFFFAOYSA-N
TotalMolweight520.952
Molweight520.952
MonoisotopicMass520.060818
CLogP4.481
CLogS-8.203
H Acceptors9
H Donors1
TotalSurfaceArea359.58
Relative PSA0.2741
PolarSurfaceArea133.04
Druglikeness-6.6146
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52778
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms3
Symmetricatoms3
Amides1
AcidicOxygens1
StereoCon

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