Molecule

ID:74505

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆O
Molecular Mass
116.20134
Exact Mass
116.12011513
Charge
0
InChI
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey
CETWDUZRCINIHU-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(O)C
Isomeric Smiles
OC(CCCCC)C
Calculated Properties
JChem
Acid pKa
17.683062
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1110344
LogD (pH = 7.4)
2.1110344
Log P
2.1110344
Molar Refractivity
35.7557
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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