3-hydroxy-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]naphthalene-2-carboxamide
Formula:C20H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]naphthalene-2-carboxamide |
| MolecularFormula | C20H15N3O4 |
| Smiles | [O-][N+](c1cc(/C=C/C=N\NC(c2cc3ccccc3cc2O)=O)ccc1)=O |
| InChI | InChI=1S/C20H15N3O4/c24-19-13-16-8-2-1-7-15(16)12-18(19)20(25)22-21-10-4-6-14-5-3-9-17(11-14)23(26)27/h1-13,24H,(H,22,25) |
| InChIK | HZSXCFFUGIVIIU-UHFFFAOYSA-N |
| TotalMolweight | 361.356 |
| Molweight | 361.356 |
| MonoisotopicMass | 361.106257 |
| CLogP | 3.147 |
| CLogS | -5.783 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 278.11 |
| Relative PSA | 0.28597 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -0.73272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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