(Z)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-cyclohexylprop-2-enamide
Formula:C27H25N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-cyclohexylprop-2-enamide is not a drug-like molecule.
| MolName | (Z)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-cyclohexylprop-2-enamide |
| MolecularFormula | C27H25N2O2Br |
| Smiles | N#C/C(/C(NC1CCCCC1)=O)=C/c(c1ccccc1cc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C27H25BrN2O2/c28-22-13-10-19(11-14-22)18-32-26-15-12-20-6-4-5-9-24(20)25(26)16-21(17-29)27(31)30-23-7-2-1-3-8-23/h4-6,9-16,23H,1-3,7-8,18H2,(H,30,31) |
| InChIK | IFTFMGIPOXRITQ-UHFFFAOYSA-N |
| TotalMolweight | 489.411 |
| Molweight | 489.411 |
| MonoisotopicMass | 488.109939 |
| CLogP | 6.103 |
| CLogS | -7.618 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 353.44 |
| Relative PSA | 0.13598 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -7.7807 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (Z)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-cyclohexylprop-2-enamide | 2 - (Z)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-cyclohexylprop-2-enamide
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