[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C31H22N3O5ClS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C31H22N3O5ClS |
| Smiles | O=C(c(cc1)ccc1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C31H22ClN3O5S/c32-24-12-18-27(19-13-24)41(38,39)35-25-14-10-23(11-15-25)30(36)34-33-20-21-8-16-26(17-9-21)40-31(37)29-7-3-5-22-4-1-2-6-28(22)29/h1-20,35H,(H,34,36) |
| InChIK | KYBRGHCVEQPNFE-UHFFFAOYSA-N |
| TotalMolweight | 584.051 |
| Molweight | 584.051 |
| MonoisotopicMass | 583.096869 |
| CLogP | 6.7316 |
| CLogS | -8.866 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 424.32 |
| Relative PSA | 0.23353 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 7.2086 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63415 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate | 2 - [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
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