[3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C21H15N2O5Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C21H15N2O5Cl |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c1cccc(OC(c(cc2)ccc2Cl)=O)c1)=O |
| InChI | InChI=1S/C21H15ClN2O5/c22-15-6-4-14(5-7-15)21(28)29-17-3-1-2-13(10-17)12-23-24-20(27)18-9-8-16(25)11-19(18)26/h1-12,25-26H,(H,24,27) |
| InChIK | GVLKQBYEWCZRJI-UHFFFAOYSA-N |
| TotalMolweight | 410.812 |
| Molweight | 410.812 |
| MonoisotopicMass | 410.06695 |
| CLogP | 4.5467 |
| CLogS | -5.335 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 302.62 |
| Relative PSA | 0.28171 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 4.0444 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off