N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-1-carboxamide
Formula:C29H21N2O2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C29H21N2O2Br |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(cc1)cc(Br)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C29H21BrN2O2/c30-27-17-20(18-31-32-29(33)26-14-6-10-22-8-2-4-13-25(22)26)15-16-28(27)34-19-23-11-5-9-21-7-1-3-12-24(21)23/h1-18H,19H2,(H,32,33) |
| InChIK | FJAWOEIHGTVOCY-UHFFFAOYSA-N |
| TotalMolweight | 509.402 |
| Molweight | 509.402 |
| MonoisotopicMass | 508.078639 |
| CLogP | 7.6637 |
| CLogS | -9.108 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 358.34 |
| Relative PSA | 0.1284 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2305 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| 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 | 2 |
| StereoCon |
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