N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
Formula:C28H22N4O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C28H22N4O3 |
| Smiles | Oc1cccc(/C=N\NC(c2cc(-c(cccc3)c3OCc3cccc4ccccc34)n[nH]2)=O)c1 |
| InChI | InChI=1S/C28H22N4O3/c33-22-11-5-7-19(15-22)17-29-32-28(34)26-16-25(30-31-26)24-13-3-4-14-27(24)35-18-21-10-6-9-20-8-1-2-12-23(20)21/h1-17,33H,18H2,(H,30,31)(H,32,34) |
| InChIK | RZBYFZFZGCCTEZ-UHFFFAOYSA-N |
| TotalMolweight | 462.508 |
| Molweight | 462.508 |
| MonoisotopicMass | 462.169191 |
| CLogP | 5.0962 |
| CLogS | -6.747 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 359.55 |
| Relative PSA | 0.23382 |
| PolarSurfaceArea | 99.6 |
| Druglikeness | 5.325 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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