(Z)-4-bromobut-3-enoic acid
Formula:C4H5O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-bromobut-3-enoic acid is a drug-like molecule.
| MolName | (Z)-4-bromobut-3-enoic acid |
| MolecularFormula | C4H5O2Br |
| Smiles | OC(C/C=C\Br)=O |
| InChI | InChI=1S/C4H5BrO2/c5-3-1-2-4(6)7/h1,3H,2H2,(H,6,7) |
| InChIK | DZBFGWQDTFSLBD-UHFFFAOYSA-N |
| TotalMolweight | 164.986 |
| Molweight | 164.986 |
| MonoisotopicMass | 163.947291 |
| CLogP | 0.6785 |
| CLogS | -1.488 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 96.49 |
| Relative PSA | 0.27091 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -3.3175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.85714 |
| Fragments | 1 |
| Non HAtoms | 7 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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