Molecule

ID:70546

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
InChIKey
KKVZAVRSVHUSPL-GQCTYLIASA-N
Canonic Smiles
O=C/C=C/c1ccccc1OC
Isomeric Smiles
C(=O)/C=C/c1c(cccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8197987
LogD (pH = 7.4)
1.8197987
Log P
1.8197987
Molar Refractivity
48.5977
Polarizability
18.275408
Polar Surface Area
26.3
Rotatable Bonds
3
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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