Molecule

ID:77577

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁BO₂
Molecular Mass
280.16914
Exact Mass
280.16346031
Charge
0
InChI
InChI=1S/C18H21BO2/c1-17(2)18(3,4)21-19(20-17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKey
REDKQKNJWVIPIO-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1ccccc1
Isomeric Smiles
B1(c2ccc(cc2)c2ccccc2)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5848
LogD (pH = 7.4)
5.5848
Log P
5.5848
Molar Refractivity
80.8493
Polarizability
35.065853
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
false
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
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References
Bioactivity
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