[1-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C31H21N3O5Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C31H21N3O5Cl2S |
| Smiles | O=C(c(cc1)ccc1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C31H21Cl2N3O5S/c32-22-12-16-24(17-13-22)42(39,40)36-23-14-9-21(10-15-23)30(37)35-34-19-27-25-6-2-1-5-20(25)11-18-29(27)41-31(38)26-7-3-4-8-28(26)33/h1-19,36H,(H,35,37) |
| InChIK | BSJOIRCABMUHHG-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 | 5.3587 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54762 |
| 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)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off