Molecule

ID:110684

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆O
Molecular Mass
116.20134
Exact Mass
116.12011513
Charge
0
InChI
InChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3
InChIKey
HMSVXZJWPVIVIV-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C)(C)C)O
Isomeric Smiles
CCC(O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
19.246223
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0428243
LogD (pH = 7.4)
2.0428243
Log P
2.0428243
Molar Refractivity
35.3464
Polarizability
14.24668
Polar Surface Area
20.23
Rotatable Bonds
2
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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