N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
Formula:C21H14N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C21H14N4OCl2 |
| Smiles | O=C(c1cc(-c2cc3ccccc3cc2)n[nH]1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C21H14Cl2N4O/c22-17-6-3-7-18(23)16(17)12-24-27-21(28)20-11-19(25-26-20)15-9-8-13-4-1-2-5-14(13)10-15/h1-12H,(H,25,26)(H,27,28) |
| InChIK | JFBXUGPWDWRNQG-UHFFFAOYSA-N |
| TotalMolweight | 409.275 |
| Molweight | 409.275 |
| MonoisotopicMass | 408.054465 |
| CLogP | 5.3058 |
| CLogS | -7.174 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.52 |
| Relative PSA | 0.20288 |
| 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 | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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