Molecule

ID:90535

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O
Molecular Mass
114.18546
Exact Mass
114.10446507
Charge
0
InChI
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChIKey
FXHGMKSSBGDXIY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC=O
Isomeric Smiles
O=CCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.10
LogD (pH = 5.5)
2.10
Log P
2.10
Rotatable Bonds
5
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.93
Polar Surface Area
17.07
Polarizability
14.38
Molar Refractivity
34.75
LOG S
-1.76
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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