Molecule

ID:112840

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O
Molecular Mass
146.1858
Exact Mass
146.07316494
Charge
0
InChI
InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,1H3
InChIKey
JYOZFNMFSVAZAW-UHFFFAOYSA-N
Canonic Smiles
CC(C#Cc1ccccc1)O
Isomeric Smiles
CC(O)C#Cc1ccccc1
Calculated Properties
JChem
Acid pKa
13.914385
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0963151
LogD (pH = 7.4)
2.096315
Log P
2.0963151
Molar Refractivity
42.9246
Polarizability
17.22164
Polar Surface Area
20.23
Rotatable Bonds
2
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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