Molecule

ID:109160

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O
Molecular Mass
166.26002
Exact Mass
166.1357652
Charge
0
InChI
InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3
InChIKey
ROKSAUSPJGWCSM-UHFFFAOYSA-N
Canonic Smiles
OCCC1=CCC2CC1C2(C)C
Isomeric Smiles
CC1(C)C2CC=C(CCO)C1C2
Calculated Properties
JChem
Acid pKa
16.989
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8095515
LogD (pH = 7.4)
1.8095515
Log P
1.8095515
Molar Refractivity
51.252
Polarizability
19.918749
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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