Molecule

ID:112279

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀O₂
Molecular Mass
184.2753
Exact Mass
184.14632988
Charge
0
InChI
InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKey
NRVPMFHPHGBQLP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCC1CCCCC1
Isomeric Smiles
CCOC(=O)CCC1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0260286
LogD (pH = 7.4)
3.0260286
Log P
3.0260286
Molar Refractivity
52.5397
Polarizability
21.023832
Polar Surface Area
26.3
Rotatable Bonds
5
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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