N-[(Z)-anthracen-9-ylmethylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
Formula:C29H21N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide |
| MolecularFormula | C29H21N2O2Cl |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Cl)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C29H21ClN2O2/c30-24-13-9-20(10-14-24)19-34-25-15-11-21(12-16-25)29(33)32-31-18-28-26-7-3-1-5-22(26)17-23-6-2-4-8-27(23)28/h1-18H,19H2,(H,32,33) |
| InChIK | LVRWBTRIWPAGGZ-UHFFFAOYSA-N |
| TotalMolweight | 464.951 |
| Molweight | 464.951 |
| MonoisotopicMass | 464.129155 |
| CLogP | 7.5445 |
| CLogS | -9.01 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 355.13 |
| Relative PSA | 0.12956 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.0514 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| 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 |
| Symmetricatoms | 10 |
| StereoCon |
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