Molecule

ID:111708

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c1-3-5-8-7-9-6-4-2/h3-4H,1-2,5-7H2
InChIKey
PJBPUIKGUZFWNA-UHFFFAOYSA-N
Canonic Smiles
C=CCOCOCC=C
Isomeric Smiles
C=CCOCOCC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6501745
LogD (pH = 7.4)
1.6501745
Log P
1.6501745
Molar Refractivity
37.1909
Polarizability
14.522707
Polar Surface Area
18.46
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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