Molecule

ID:31377

General Information
Structure
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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)8-6-7-12-13(8)5/h6-7H,1-5H3
InChIKey
HLXOVAMYQUFLPE-UHFFFAOYSA-N
Canonic Smiles
Cn1nccc1B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(c2n(ncc2)C)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1169877
LogD (pH = 7.4)
2.1169999
Log P
2.117
Molar Refractivity
63.8698
Polarizability
22.579247
Polar Surface Area
36.28
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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