Molecule

ID:71329

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉BO₂
Molecular Mass
170.05696
Exact Mass
170.14781025
Charge
0
InChI
InChI=1S/C9H19BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h7H,1-6H3
InChIKey
MECCSFDHAVAAAW-UHFFFAOYSA-N
Canonic Smiles
CC(B1OC(C(O1)(C)C)(C)C)C
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3335
LogD (pH = 7.4)
3.3335
Log P
3.3335
Molar Refractivity
44.7239
Polarizability
19.948402
Polar Surface Area
18.46
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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