[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Formula:C20H14N3O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C20H14N3O3Cl |
| Smiles | O=C(c1ccncc1)N/N=C\c(cccc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H14ClN3O3/c21-17-7-5-15(6-8-17)20(26)27-18-4-2-1-3-16(18)13-23-24-19(25)14-9-11-22-12-10-14/h1-13H,(H,24,25) |
| InChIK | HGCVTMHKMFZHFE-UHFFFAOYSA-N |
| TotalMolweight | 379.802 |
| Molweight | 379.802 |
| MonoisotopicMass | 379.072369 |
| CLogP | 4.2372 |
| CLogS | -5.132 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 288.68 |
| Relative PSA | 0.24255 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off