N-[(Z)-(2-bromophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C18H13N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C18H13N2O2Br |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(cccc1)c1Br)=O |
| InChI | InChI=1S/C18H13BrN2O2/c19-16-8-4-3-7-14(16)11-20-21-18(23)15-9-12-5-1-2-6-13(12)10-17(15)22/h1-11,22H,(H,21,23) |
| InChIK | RGVOIDFXTVJHIG-UHFFFAOYSA-N |
| TotalMolweight | 369.217 |
| Molweight | 369.217 |
| MonoisotopicMass | 368.016039 |
| CLogP | 4.7755 |
| CLogS | -5.865 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 246.57 |
| Relative PSA | 0.19917 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.6304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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