N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
Formula:C17H17N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide |
| MolecularFormula | C17H17N2O2Br |
| Smiles | OC(CCC(N/N=C\c1cccc(Br)c1)=O)c1ccccc1 |
| InChI | InChI=1S/C17H17BrN2O2/c18-15-8-4-5-13(11-15)12-19-20-17(22)10-9-16(21)14-6-2-1-3-7-14/h1-8,11-12,16,21H,9-10H2,(H,20,22)/t16-/m0/s1 |
| InChIK | YWMZOUJARXSDPV-INIZCTEOSA-N |
| TotalMolweight | 361.238 |
| Molweight | 361.238 |
| MonoisotopicMass | 360.047339 |
| CLogP | 3.7636 |
| CLogS | -4.512 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 251.99 |
| Relative PSA | 0.19489 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.1032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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