[4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Formula:C21H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is a drug-like molecule.
| MolName | [4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C21H16N3O3Cl |
| Smiles | Nc(cc1)ccc1C(N/N=C/c(cc1)ccc1OC(c(cccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C21H16ClN3O3/c22-19-4-2-1-3-18(19)21(27)28-17-11-5-14(6-12-17)13-24-25-20(26)15-7-9-16(23)10-8-15/h1-13H,23H2,(H,25,26) |
| InChIK | ZGDOMHJLTAZPFC-UHFFFAOYSA-N |
| TotalMolweight | 393.829 |
| Molweight | 393.829 |
| MonoisotopicMass | 393.088019 |
| CLogP | 4.5608 |
| CLogS | -6.003 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 298.44 |
| Relative PSA | 0.24903 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 4.0192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
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