Molecule

ID:101475

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂
Molecular Mass
124.13722
Exact Mass
124.0524295
Charge
0
InChI
InChI=1S/C7H8O2/c1-5-4-9-6(2)7(5)3-8/h3-4H,1-2H3
InChIKey
MGSAYHDYMMHZQE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)coc1C
Isomeric Smiles
c1(c(occ1C)C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5389764
LogD (pH = 7.4)
1.5389764
Log P
1.5389764
Molar Refractivity
35.3463
Polarizability
12.636418
Polar Surface Area
30.21
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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