Molecule

ID:32912

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆BNO₂
Molecular Mass
157.01844
Exact Mass
157.12740916
Charge
0
InChI
InChI=1S/C7H16BNO2/c1-7(2)8-10-5-3-9-4-6-11-8/h7,9H,3-6H2,1-2H3
InChIKey
ZUDZAAOFXMKZHD-UHFFFAOYSA-N
Canonic Smiles
CC(B1OCCNCCO1)C
Isomeric Smiles
C(B1OCCNCCO1)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2885449
LogD (pH = 7.4)
0.34856555
Log P
1.9686
Molar Refractivity
39.3343
Polarizability
17.788683
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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