Molecule

ID:118902

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O
Molecular Mass
114.18546
Exact Mass
114.10446507
Charge
0
InChI
InChI=1S/C7H14O/c1-7(2)5-3-4-6(7)8/h6,8H,3-5H2,1-2H3
InChIKey
HHZBHIQGEGSCJF-UHFFFAOYSA-N
Canonic Smiles
OC1CCCC1(C)C
Isomeric Smiles
C1(C(O)CCC1)(C)C
Calculated Properties
JChem
Acid pKa
19.012903
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5790983
LogD (pH = 7.4)
1.5790985
Log P
1.5790985
Molar Refractivity
33.5442
Polarizability
13.512976
Polar Surface Area
20.23
Rotatable Bonds
0
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
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References
Bioactivity
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