N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxybutanamide
Formula:C11H13N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxybutanamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxybutanamide |
| MolecularFormula | C11H13N2O2Br |
| Smiles | OCCCC(N/N=C\c1cccc(Br)c1)=O |
| InChI | InChI=1S/C11H13BrN2O2/c12-10-4-1-3-9(7-10)8-13-14-11(16)5-2-6-15/h1,3-4,7-8,15H,2,5-6H2,(H,14,16) |
| InChIK | XPGIOUNXPJODRB-UHFFFAOYSA-N |
| TotalMolweight | 285.14 |
| Molweight | 285.14 |
| MonoisotopicMass | 284.016039 |
| CLogP | 2.4651 |
| CLogS | -3.418 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 193.49 |
| Relative PSA | 0.25381 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -3.1881 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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