[3-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Formula:C25H17N2O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[3-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C25H17N2O3Cl |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c1cccc(OC(c(cc2)ccc2Cl)=O)c1 |
| InChI | InChI=1S/C25H17ClN2O3/c26-20-13-11-19(12-14-20)25(30)31-21-8-3-5-17(15-21)16-27-28-24(29)23-10-4-7-18-6-1-2-9-22(18)23/h1-16H,(H,28,29) |
| InChIK | UMCDOVQAQKXALY-UHFFFAOYSA-N |
| TotalMolweight | 428.874 |
| Molweight | 428.874 |
| MonoisotopicMass | 428.09277 |
| CLogP | 6.4325 |
| CLogS | -7.533 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 324.52 |
| Relative PSA | 0.18196 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [3-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [3-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
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