Molecule

ID:32910

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀BNO₂
Molecular Mass
197.0823
Exact Mass
197.15870929
Charge
0
InChI
InChI=1S/C10H20BNO2/c1-2-4-10(5-3-1)11-13-8-6-12-7-9-14-11/h10,12H,1-9H2
InChIKey
ZEWXJJCKWJZWQY-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)B1OCCNCCO1
Isomeric Smiles
C1(B2OCCNCCO2)CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6036447
LogD (pH = 7.4)
1.0334657
Log P
2.6535
Molar Refractivity
51.3351
Polarizability
22.585865
Polar Surface Area
30.49
Rotatable Bonds
1
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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