N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
Formula:C21H16N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C21H16N4O2 |
| Smiles | Oc1cccc(/C=N\NC(c2cc(-c3cccc4ccccc34)n[nH]2)=O)c1 |
| InChI | InChI=1S/C21H16N4O2/c26-16-8-3-5-14(11-16)13-22-25-21(27)20-12-19(23-24-20)18-10-4-7-15-6-1-2-9-17(15)18/h1-13,26H,(H,23,24)(H,25,27) |
| InChIK | VHOUKTLTCKTEMD-UHFFFAOYSA-N |
| TotalMolweight | 356.384 |
| Molweight | 356.384 |
| MonoisotopicMass | 356.127326 |
| CLogP | 3.7481 |
| CLogS | -5.406 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 276.03 |
| Relative PSA | 0.26834 |
| PolarSurfaceArea | 90.37 |
| Druglikeness | 5.6129 |
| 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 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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