N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-3,4-dichlorobenzamide
Formula:C15H16N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-3,4-dichlorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-3,4-dichlorobenzamide |
| MolecularFormula | C15H16N2OCl2 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)N/N=C\[C@@H]1[C@H](CC2)C[C@H]2C1 |
| InChI | InChI=1S/C15H16Cl2N2O/c16-13-4-3-11(7-14(13)17)15(20)19-18-8-12-6-9-1-2-10(12)5-9/h3-4,7-10,12H,1-2,5-6H2,(H,19,20)/t9-,10+,12+/m0/s1 |
| InChIK | UEGQHEUVZMGNTE-HOSYDEDBSA-N |
| TotalMolweight | 311.211 |
| Molweight | 311.211 |
| MonoisotopicMass | 310.063967 |
| CLogP | 3.9064 |
| CLogS | -5.407 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 223.61 |
| Relative PSA | 0.16104 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.8585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-3,4-dichlorobenzamide | 2 - N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-3,4-dichlorobenzamide
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