Molecule

ID:77153

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁BO₂
Molecular Mass
184.08354
Exact Mass
184.16346031
Charge
0
InChI
InChI=1S/C10H21BO2/c1-6-8(2)11-12-9(3)7-10(4,5)13-11/h8-9H,6-7H2,1-5H3
InChIKey
ULSNDPBAQDCMPG-UHFFFAOYSA-N
Canonic Smiles
CCC(B1OC(C)CC(O1)(C)C)C
Isomeric Smiles
O1C(CC(OB1C(C)CC)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7037
LogD (pH = 7.4)
3.7037
Log P
3.7037
Molar Refractivity
49.5521
Polarizability
21.792545
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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