Molecule

ID:70006

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₂
Molecular Mass
126.1531
Exact Mass
126.06807956
Charge
0
InChI
InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h2-3,6H,4-5H2,1H3
InChIKey
CEOILRYKIJRPBZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CC=CC1
Isomeric Smiles
C1(CC=CC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2295603
LogD (pH = 7.4)
1.2295603
Log P
1.2295603
Molar Refractivity
35.1306
Polarizability
13.423014
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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