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Chemical ID: 4105000
Chemical Details
Atom Count
Formula: | C13H16BrNO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.93183 |
Area: | 450.842 |
Solvation: | -5.33922 |
Coulombic: | -31.3879 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 314.175 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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