Molecule
ID:77207
General Information
Molecular Formula
C₁₀H₁₅Br
Molecular Mass
215.1301
Exact Mass
214.03571248
Charge
0
InChI
InChI=1S/C10H15Br/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
InChIKey
RCXJARRRXOPXBC-UHFFFAOYSA-N
Canonic Smiles
BrC1[C@@H]2C[C@@H]3C[C@@H]1C[C@H](C2)C3
Isomeric Smiles
[C@H]12C[C@@H]3C[C@H](C1)C[C@H](C3)C2Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1973126
LogD (pH = 7.4)
3.1973126
Log P
3.1973126
Molar Refractivity
49.746
Polarizability
19.621735
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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