Molecule

ID:75166

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇BO₂
Molecular Mass
204.07318
Exact Mass
204.13216018
Charge
0
InChI
InChI=1S/C12H17BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKey
KKLCYBZPQDOFQK-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccccc1
Isomeric Smiles
B1(c2ccccc2)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9004
LogD (pH = 7.4)
3.9004
Log P
3.9004
Molar Refractivity
55.7131
Polarizability
24.014795
Polar Surface Area
18.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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