Molecule

ID:32573

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇BN₂O₂
Molecular Mass
208.06518
Exact Mass
208.13830819
Charge
0
InChI
InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-7H,1-5H3
InChIKey
UCNGGGYMLHAMJG-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1(cnn(c1)C)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1742656
LogD (pH = 7.4)
2.1742995
Log P
2.1743
Molar Refractivity
64.6165
Polarizability
22.578596
Polar Surface Area
36.28
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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