N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
Formula:C25H19N2O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C25H19N2O2Cl |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C25H19ClN2O2/c26-21-12-8-19(9-13-21)17-30-22-14-10-18(11-15-22)16-27-28-25(29)24-7-3-5-20-4-1-2-6-23(20)24/h1-16H,17H2,(H,28,29) |
| InChIK | KGAJTWXDPPYKIR-UHFFFAOYSA-N |
| TotalMolweight | 414.891 |
| Molweight | 414.891 |
| MonoisotopicMass | 414.113505 |
| CLogP | 6.3501 |
| CLogS | -7.404 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 320.53 |
| Relative PSA | 0.14354 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.0514 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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