Molecule

ID:75170

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BO₃
Molecular Mass
194.0353
Exact Mass
194.11142474
Charge
0
InChI
InChI=1S/C10H15BO3/c1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5-7H,1-4H3
InChIKey
KTBLRYUFNBABGO-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cocc1
Isomeric Smiles
B1(c2cocc2)OC(C)(C)C(O1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0846
LogD (pH = 7.4)
3.0846
Log P
3.0846
Molar Refractivity
48.2265
Polarizability
20.871399
Polar Surface Area
31.6
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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