Molecule

ID:104683

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
InChIKey
BSYVTEYKTMYBMK-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCO1
Isomeric Smiles
OCC1CCCO1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.10
LogD (pH = 5.5)
-0.10
Log P
-0.10
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.68
Polar Surface Area
29.46
Polarizability
11.08
Molar Refractivity
26.52
LOG S
0.16
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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