N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide
Formula:C22H17N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C22H17N3O2 |
| Smiles | Oc(cc1)ccc1-n1c(/C=N\NC(c2cccc3ccccc23)=O)ccc1 |
| InChI | InChI=1S/C22H17N3O2/c26-19-12-10-17(11-13-19)25-14-4-7-18(25)15-23-24-22(27)21-9-3-6-16-5-1-2-8-20(16)21/h1-15,26H,(H,24,27) |
| InChIK | BDPPOSZAEFWKFA-UHFFFAOYSA-N |
| TotalMolweight | 355.396 |
| Molweight | 355.396 |
| MonoisotopicMass | 355.132077 |
| CLogP | 4.2892 |
| CLogS | -7.368 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.9 |
| Relative PSA | 0.20217 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 5.4419 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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