[4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
Formula:C21H14N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate |
| MolecularFormula | C21H14N3O5Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O)=O)=O |
| InChI | InChI=1S/C21H14ClN3O5/c22-17-3-1-2-16(12-17)21(27)30-19-10-4-14(5-11-19)13-23-24-20(26)15-6-8-18(9-7-15)25(28)29/h1-13H,(H,24,26) |
| InChIK | WQNLYQIFAMNEMH-UHFFFAOYSA-N |
| TotalMolweight | 423.811 |
| Molweight | 423.811 |
| MonoisotopicMass | 423.062199 |
| CLogP | 4.3165 |
| CLogS | -6.387 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 313.59 |
| Relative PSA | 0.28531 |
| PolarSurfaceArea | 113.58 |
| Druglikeness | -1.0349 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off