Molecule

ID:72216

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c1-8(12)6-11-10-5-3-2-4-9(10)7-13-11/h2-6H,7H2,1H3/b11-6-
InChIKey
RBHHGDADHCEGTP-WDZFZDKYSA-N
Canonic Smiles
CC(=O)/C=C/1\OCc2c1cccc2
Isomeric Smiles
C\1(=C/C(=O)C)/OCc2c1cccc2
Calculated Properties
JChem
Acid pKa
19.19726
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5762196
LogD (pH = 7.4)
1.5762196
Log P
1.5762196
Molar Refractivity
51.8091
Polarizability
19.38696
Polar Surface Area
26.3
Rotatable Bonds
1
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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