Molecule

ID:74507

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆O
Molecular Mass
116.20134
Exact Mass
116.12011513
Charge
0
InChI
InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
InChIKey
YVBCULSIZWMTFY-UHFFFAOYSA-N
Canonic Smiles
CCCC(CCC)O
Isomeric Smiles
OC(CCC)CCC
Calculated Properties
JChem
Acid pKa
18.574411
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.188988
LogD (pH = 7.4)
2.188988
Log P
2.188988
Molar Refractivity
35.6787
Polarizability
14.24668
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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