Molecule

ID:108441

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O
Molecular Mass
102.17476
Exact Mass
102.10446507
Charge
0
InChI
InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3
InChIKey
TZYRSLHNPKPEFV-UHFFFAOYSA-N
Canonic Smiles
CCC(CO)CC
Isomeric Smiles
CCC(CC)CO
Calculated Properties
JChem
Acid pKa
17.74208
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6148634
LogD (pH = 7.4)
1.6148634
Log P
1.6148634
Molar Refractivity
31.2075
Polarizability
12.4019375
Polar Surface Area
20.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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