Molecule

ID:74423

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O
Molecular Mass
102.17476
Exact Mass
102.10446507
Charge
0
InChI
InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
InChIKey
QNVRIHYSUZMSGM-UHFFFAOYSA-N
Canonic Smiles
CCCCC(O)C
Isomeric Smiles
OC(CCCC)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.67
LogD (pH = 5.5)
1.67
Log P
1.67
Rotatable Bonds
3
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.63
Polar Surface Area
20.23
Polarizability
13.10
Molar Refractivity
31.15
LOG S
-1.14
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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