Molecule

ID:79619

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
InChIKey
CYYZDBDROVLTJU-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)O
Isomeric Smiles
Oc1ccc(cc1)CCCC
Calculated Properties
JChem
Acid pKa
10.306916
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.516801
LogD (pH = 7.4)
3.516273
Log P
3.5168078
Molar Refractivity
46.8831
Polarizability
18.24136
Polar Surface Area
20.23
Rotatable Bonds
3
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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