[1-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C31H21N3O5Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C31H21N3O5Cl2S |
| Smiles | O=C(c(cccc1)c1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C31H21Cl2N3O5S/c32-22-12-9-21(10-13-22)31(38)41-29-18-11-20-5-1-2-6-25(20)27(29)19-34-35-30(37)26-7-3-4-8-28(26)36-42(39,40)24-16-14-23(33)15-17-24/h1-19,36H,(H,35,37) |
| InChIK | ZJLBHQAIYJJWFJ-UHFFFAOYSA-N |
| TotalMolweight | 618.496 |
| Molweight | 618.496 |
| MonoisotopicMass | 617.057896 |
| CLogP | 7.3376 |
| CLogS | -9.602 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 439.74 |
| Relative PSA | 0.22534 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 6.7474 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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