[1-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Formula:C29H20N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C29H20N2O4 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C29H20N2O4/c32-26-17-22-12-5-4-11-21(22)16-24(26)28(33)31-30-18-25-23-13-7-6-8-19(23)14-15-27(25)35-29(34)20-9-2-1-3-10-20/h1-18,32H,(H,31,33) |
| InChIK | WNRQVXQHENYSAD-UHFFFAOYSA-N |
| TotalMolweight | 460.488 |
| Molweight | 460.488 |
| MonoisotopicMass | 460.142308 |
| CLogP | 6.6752 |
| CLogS | -8.107 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 350.05 |
| Relative PSA | 0.20611 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 3.9978 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate | 2 - [1-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off