N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
Formula:C29H22N2O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C29H22N2O2 |
| Smiles | O=C(c1cc2ccccc2cc1)N/N=C\c1cc(OCc2cccc3ccccc23)ccc1 |
| InChI | InChI=1S/C29H22N2O2/c32-29(25-16-15-22-8-1-2-10-24(22)18-25)31-30-19-21-7-5-13-27(17-21)33-20-26-12-6-11-23-9-3-4-14-28(23)26/h1-19H,20H2,(H,31,32) |
| InChIK | JSRPBEASECTQGU-UHFFFAOYSA-N |
| TotalMolweight | 430.506 |
| Molweight | 430.506 |
| MonoisotopicMass | 430.168128 |
| CLogP | 6.9385 |
| CLogS | -8.274 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 339.71 |
| Relative PSA | 0.13544 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.0205 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| StereoCon |
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