Molecule

ID:112672

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-7,10-11H,1H2,2H3
InChIKey
ZGYBYYJGIKPBFD-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccc1)C(=C)C
Isomeric Smiles
CC(=C)C(O)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.908276
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2402742
LogD (pH = 7.4)
2.2402742
Log P
2.2402742
Molar Refractivity
45.9888
Polarizability
18.098925
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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