Molecule

ID:65414

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₂
Molecular Mass
130.18486
Exact Mass
130.09937969
Charge
0
InChI
InChI=1S/C7H14O2/c8-6-5-7(9)3-1-2-4-7/h8-9H,1-6H2
InChIKey
QGMKCAZXZBYWCH-UHFFFAOYSA-N
Canonic Smiles
OCCC1(O)CCCC1
Isomeric Smiles
C1CCCC1(O)CCO
Calculated Properties
JChem
Acid pKa
14.680356
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.12975124
LogD (pH = 7.4)
0.12975122
Log P
0.12975124
Molar Refractivity
35.7218
Polarizability
14.140562
Polar Surface Area
40.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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