Molecule

ID:79716

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BrO
Molecular Mass
231.1295
Exact Mass
230.0306271
Charge
0
InChI
InChI=1S/C10H15BrO/c1-9-4-3-7(5-8(9)12)10(9,2)6-11/h7H,3-6H2,1-2H3/t7?,9?,10-/m0/s1
InChIKey
JOXACTPHKLKJNP-GDRRJGKNSA-N
Canonic Smiles
BrC[C@@]1(C)C2CCC1(C)C(=O)C2
Isomeric Smiles
O=C1C2([C@](C(C1)CC2)(CBr)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8123016
LogD (pH = 7.4)
2.8123016
Log P
2.8123016
Molar Refractivity
52.3012
Polarizability
20.477575
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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