3-(3,4-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C17H10N4OCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-(3,4-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | 3-(3,4-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H10N4OCl4 |
| Smiles | O=C(c1cc(-c(cc2)cc(Cl)c2Cl)n[nH]1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C17H10Cl4N4O/c18-11-2-1-3-12(19)10(11)8-22-25-17(26)16-7-15(23-24-16)9-4-5-13(20)14(21)6-9/h1-8H,(H,23,24)(H,25,26) |
| InChIK | HKZVGOYBGSDKTO-UHFFFAOYSA-N |
| TotalMolweight | 428.105 |
| Molweight | 428.105 |
| MonoisotopicMass | 425.960869 |
| CLogP | 5.3234 |
| CLogS | -7.04 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 296.76 |
| Relative PSA | 0.20545 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(3,4-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-(3,4-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off