N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
Formula:C17H10N4OCl3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H10N4OCl3F |
| Smiles | O=C(c1cc(-c(cc2)cc(Cl)c2Cl)n[nH]1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C17H10Cl3FN4O/c18-11-2-1-3-14(21)10(11)8-22-25-17(26)16-7-15(23-24-16)9-4-5-12(19)13(20)6-9/h1-8H,(H,23,24)(H,25,26) |
| InChIK | AFHDLINOWARMNI-UHFFFAOYSA-N |
| TotalMolweight | 411.65 |
| Molweight | 411.65 |
| MonoisotopicMass | 409.99042 |
| CLogP | 4.8182 |
| CLogS | -6.618 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 287.69 |
| Relative PSA | 0.21193 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.3154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| 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 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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