[4-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C25H17N3O5
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is a drug-like molecule.
| MolName | [4-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C25H17N3O5 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C/c(cc1)ccc1OC(c1cccc2ccccc12)=O)=O)=O |
| InChI | InChI=1S/C25H17N3O5/c29-24(19-10-12-20(13-11-19)28(31)32)27-26-16-17-8-14-21(15-9-17)33-25(30)23-7-3-5-18-4-1-2-6-22(18)23/h1-16H,(H,27,29) |
| InChIK | CZSKXBQPJXMMJN-UHFFFAOYSA-N |
| TotalMolweight | 439.426 |
| Molweight | 439.426 |
| MonoisotopicMass | 439.116822 |
| CLogP | 4.9049 |
| CLogS | -7.257 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 332.77 |
| Relative PSA | 0.26886 |
| PolarSurfaceArea | 113.58 |
| Druglikeness | -1.0881 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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