N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclohexylbutanediamide
Formula:C25H27N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclohexylbutanediamide is not a drug-like molecule.
| MolName | N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclohexylbutanediamide |
| MolecularFormula | C25H27N3O2 |
| Smiles | O=C(CCC(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)NC1CCCCC1 |
| InChI | InChI=1S/C25H27N3O2/c29-24(27-20-10-2-1-3-11-20)14-15-25(30)28-26-17-23-21-12-6-4-8-18(21)16-19-9-5-7-13-22(19)23/h4-9,12-13,16-17,20H,1-3,10-11,14-15H2,(H,27,29)(H,28,30) |
| InChIK | HZGXTXQLCVXZLD-UHFFFAOYSA-N |
| TotalMolweight | 401.508 |
| Molweight | 401.508 |
| MonoisotopicMass | 401.210327 |
| CLogP | 5.2885 |
| CLogS | -7.344 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 320.96 |
| Relative PSA | 0.18853 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 0.39568 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclohexylbutanediamide | 2 - N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclohexylbutanediamide
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