Molecule

ID:70943

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇BN₂O₂
Molecular Mass
220.07588
Exact Mass
220.13830819
Charge
0
InChI
InChI=1S/C11H17BN2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5,15-16H,6-9H2,1H3
InChIKey
LSKYURVDOIDSCG-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)N1CCN(CC1)C)O
Isomeric Smiles
c1(ccc(cc1)N1CCN(CC1)C)B(O)O
Calculated Properties
JChem
Acid pKa
9.1051445
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.5641883
LogD (pH = 7.4)
1.1657795
Log P
1.4666954
Molar Refractivity
61.0822
Polarizability
24.676874
Polar Surface Area
46.94
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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