(4E)-4-(4-bromophenyl)-2-diphenylphosphoryl-4-hydroxyiminobutanoic acid
Formula:C22H19NO4BrP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-(4-bromophenyl)-2-diphenylphosphoryl-4-hydroxyiminobutanoic acid is a drug-like molecule.
| MolName | (4E)-4-(4-bromophenyl)-2-diphenylphosphoryl-4-hydroxyiminobutanoic acid |
| MolecularFormula | C22H19NO4BrP |
| Smiles | OC(C(C/C(/c(cc1)ccc1Br)=N\O)P(c1ccccc1)(c1ccccc1)=O)=O |
| InChI | InChI=1S/C22H19BrNO4P/c23-17-13-11-16(12-14-17)20(24-27)15-21(22(25)26)29(28,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21,27H,15H2,(H,25,26)/t21-/m0/s1 |
| InChIK | SKBZEYHSERXYRB-NRFANRHFSA-N |
| TotalMolweight | 472.274 |
| Molweight | 472.274 |
| MonoisotopicMass | 471.023507 |
| CLogP | 4.9196 |
| CLogS | -6.478 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 314.86 |
| Relative PSA | 0.21524 |
| PolarSurfaceArea | 96.77 |
| Druglikeness | -15.4 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-(4-bromophenyl)-2-diphenylphosphoryl-4-hydroxyiminobutanoic acid | 2 - (4E)-4-(4-bromophenyl)-2-diphenylphosphoryl-4-hydroxyiminobutanoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off