Molecule

ID:37062

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3
InChIKey
METWAQRCMRWDAW-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1O)CC
Isomeric Smiles
c1ccc(c(c1CC)O)CC
Calculated Properties
JChem
Acid pKa
10.607384
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5856571
LogD (pH = 7.4)
3.5853927
Log P
3.5856607
Molar Refractivity
47.3233
Polarizability
18.163063
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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