Molecule

ID:101689

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O
Molecular Mass
114.18546
Exact Mass
114.10446507
Charge
0
InChI
InChI=1S/C7H14O/c1-2-3-4-5-7-6-8-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKey
NMOFYYYCFRVWBK-ZETCQYMHSA-N
Canonic Smiles
CCCCC[C@H]1CO1
Isomeric Smiles
O1C[C@@H]1CCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.225828
LogD (pH = 7.4)
2.225828
Log P
2.225828
Molar Refractivity
33.7893
Polarizability
13.586596
Polar Surface Area
12.53
Rotatable Bonds
4
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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