N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
Formula:C21H14N4OClF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C21H14N4OClF |
| Smiles | O=C(c1cc(-c2cccc3ccccc23)n[nH]1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C21H14ClFN4O/c22-17-9-4-10-18(23)16(17)12-24-27-21(28)20-11-19(25-26-20)15-8-3-6-13-5-1-2-7-14(13)15/h1-12H,(H,25,26)(H,27,28) |
| InChIK | BNKLDHYJJCIJGI-UHFFFAOYSA-N |
| TotalMolweight | 392.82 |
| Molweight | 392.82 |
| MonoisotopicMass | 392.084016 |
| CLogP | 4.8006 |
| CLogS | -6.752 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.45 |
| Relative PSA | 0.2092 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.3154 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| 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 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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