Molecule

ID:125399

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O
Molecular Mass
102.17476
Exact Mass
102.10446507
Charge
0
InChI
InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
InChIKey
FRDAATYAJDYRNW-UHFFFAOYSA-N
Canonic Smiles
CCC(CC)(O)C
Isomeric Smiles
OC(C)(CC)CC
Calculated Properties
JChem
Acid pKa
19.031414
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5804273
LogD (pH = 7.4)
1.5804274
Log P
1.5804274
Molar Refractivity
31.1149
Polarizability
12.4019375
Polar Surface Area
20.23
Rotatable Bonds
2
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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