[4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C25H19N3O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C25H19N3O3 |
| Smiles | Nc(cc1)ccc1C(N/N=C/c(cc1)ccc1OC(c1cccc2ccccc12)=O)=O |
| InChI | InChI=1S/C25H19N3O3/c26-20-12-10-19(11-13-20)24(29)28-27-16-17-8-14-21(15-9-17)31-25(30)23-7-3-5-18-4-1-2-6-22(18)23/h1-16H,26H2,(H,28,29) |
| InChIK | SPOZWNKWOAZMRC-UHFFFAOYSA-N |
| TotalMolweight | 409.444 |
| Molweight | 409.444 |
| MonoisotopicMass | 409.142642 |
| CLogP | 5.1492 |
| CLogS | -6.873 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 317.62 |
| Relative PSA | 0.23399 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 3.9722 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| 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 | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate | 2 - [4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off