[1-[(Z)-(carbamoylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C19H14N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(carbamoylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [1-[(Z)-(carbamoylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C19H14N3O3Cl |
| Smiles | NC(N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C19H14ClN3O3/c20-14-8-5-13(6-9-14)18(24)26-17-10-7-12-3-1-2-4-15(12)16(17)11-22-23-19(21)25/h1-11H,(H3,21,23,25) |
| InChIK | NMWLKJXUNHGUGC-UHFFFAOYSA-N |
| TotalMolweight | 367.791 |
| Molweight | 367.791 |
| MonoisotopicMass | 367.072369 |
| CLogP | 4.3662 |
| CLogS | -6.626 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 273.28 |
| Relative PSA | 0.27196 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 3.9937 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [1-[(Z)-(carbamoylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-(carbamoylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
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