Molecule

ID:134914

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆O
Molecular Mass
116.20134
Exact Mass
116.12011513
Charge
0
InChI
InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3
InChIKey
XKIRHOWVQWCYBT-UHFFFAOYSA-N
Canonic Smiles
CCC(CC)(CC)O
Isomeric Smiles
OC(CC)(CC)CC
Calculated Properties
JChem
Acid pKa
19.555763
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1029496
LogD (pH = 7.4)
2.1029499
Log P
2.1029499
Molar Refractivity
35.6389
Polarizability
14.321115
Polar Surface Area
20.23
Rotatable Bonds
3
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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