[3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
Formula:C21H15N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is a drug-like molecule.
| MolName | [3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate |
| MolecularFormula | C21H15N3O6 |
| Smiles | [O-][N+](c(cc1)ccc1C(Oc1cc(/C=N\NC(c(cccc2)c2O)=O)ccc1)=O)=O |
| InChI | InChI=1S/C21H15N3O6/c25-19-7-2-1-6-18(19)20(26)23-22-13-14-4-3-5-17(12-14)30-21(27)15-8-10-16(11-9-15)24(28)29/h1-13,25H,(H,23,26) |
| InChIK | ZPCPZEXCEZVMTO-UHFFFAOYSA-N |
| TotalMolweight | 405.365 |
| Molweight | 405.365 |
| MonoisotopicMass | 405.096087 |
| CLogP | 3.3648 |
| CLogS | -5.355 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 304.52 |
| Relative PSA | 0.33683 |
| PolarSurfaceArea | 133.81 |
| Druglikeness | -1.0774 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate | 2 - [3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off