[1-[(Z)-(benzylhydrazinylidene)methyl]naphthalen-2-yl] 3-nitrobenzoate
Formula:C25H19N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(benzylhydrazinylidene)methyl]naphthalen-2-yl] 3-nitrobenzoate is a drug-like molecule.
| MolName | [1-[(Z)-(benzylhydrazinylidene)methyl]naphthalen-2-yl] 3-nitrobenzoate |
| MolecularFormula | C25H19N3O4 |
| Smiles | [O-][N+](c1cc(C(Oc2c(/C=N\NCc3ccccc3)c3ccccc3cc2)=O)ccc1)=O |
| InChI | InChI=1S/C25H19N3O4/c29-25(20-10-6-11-21(15-20)28(30)31)32-24-14-13-19-9-4-5-12-22(19)23(24)17-27-26-16-18-7-2-1-3-8-18/h1-15,17,26H,16H2 |
| InChIK | ARYSPAPGSKJPMR-UHFFFAOYSA-N |
| TotalMolweight | 425.443 |
| Molweight | 425.443 |
| MonoisotopicMass | 425.137557 |
| CLogP | 4.8225 |
| CLogS | -7.128 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.78 |
| Relative PSA | 0.23247 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.7735 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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