N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
Formula:C21H14N4OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C21H14N4OCl2 |
| Smiles | O=C(c1cc(-c2cccc3ccccc23)n[nH]1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C21H14Cl2N4O/c22-15-9-8-14(18(23)10-15)12-24-27-21(28)20-11-19(25-26-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,25,26)(H,27,28) |
| InChIK | JZNPTTPKFRJRSC-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 | high |
| Reproductive Effective | none |
| 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 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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