N-[(Z)-[4-[(E)-3-chloroprop-2-enoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C21H17N2O3Cl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
N-[(Z)-[4-[(E)-3-chloroprop-2-enoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(E)-3-chloroprop-2-enoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C21H17N2O3Cl |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(cc1)ccc1OC/C=C/Cl)=O |
| InChI | InChI=1S/C21H17ClN2O3/c22-10-3-11-27-18-8-6-15(7-9-18)14-23-24-21(26)19-12-16-4-1-2-5-17(16)13-20(19)25/h1-10,12-14,25H,11H2,(H,24,26) |
| InChIK | YLTHPTVHWBFJHW-UHFFFAOYSA-N |
| TotalMolweight | 380.83 |
| Molweight | 380.83 |
| MonoisotopicMass | 380.09277 |
| CLogP | 4.7788 |
| CLogS | -5.966 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 293.62 |
| Relative PSA | 0.20131 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 4.1034 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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