Molecule

ID:59334

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-8H,1H3
InChIKey
XVXWDVISFYVJQD-UHFFFAOYSA-N
Canonic Smiles
O=CC1=Cc2ccccc2OC1C
Isomeric Smiles
C1(=Cc2c(OC1C)cccc2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8697301
LogD (pH = 7.4)
1.8697301
Log P
1.8697301
Molar Refractivity
50.887
Polarizability
19.385553
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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