3-hydroxy-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
Formula:C29H22N2O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
3-hydroxy-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide is not a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C29H22N2O3 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(cc1)ccc1OCc1cccc2ccccc12)=O |
| InChI | InChI=1S/C29H22N2O3/c32-28-17-23-8-2-1-7-22(23)16-27(28)29(33)31-30-18-20-12-14-25(15-13-20)34-19-24-10-5-9-21-6-3-4-11-26(21)24/h1-18,32H,19H2,(H,31,33) |
| InChIK | ZJOGVKOFORZSSK-UHFFFAOYSA-N |
| TotalMolweight | 446.505 |
| Molweight | 446.505 |
| MonoisotopicMass | 446.163043 |
| CLogP | 6.5928 |
| CLogS | -7.978 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 346.06 |
| Relative PSA | 0.17081 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 4.0044 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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