N-[(Z)-(3-bromophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
Formula:C21H15N4OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C21H15N4OBr |
| Smiles | O=C(c1cc(-c2cccc3ccccc23)n[nH]1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C21H15BrN4O/c22-16-8-3-5-14(11-16)13-23-26-21(27)20-12-19(24-25-20)18-10-4-7-15-6-1-2-9-17(15)18/h1-13H,(H,24,25)(H,26,27) |
| InChIK | ZKNNQPRULRHQNT-UHFFFAOYSA-N |
| TotalMolweight | 419.281 |
| Molweight | 419.281 |
| MonoisotopicMass | 418.042922 |
| CLogP | 4.819 |
| CLogS | -6.536 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 288.31 |
| Relative PSA | 0.21147 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.8421 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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