Molecule

ID:69435

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O
Molecular Mass
146.1858
Exact Mass
146.07316494
Charge
0
InChI
InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
InChIKey
KCKZIWSINLBROE-UHFFFAOYSA-N
Canonic Smiles
O=C1CCc2c(C1)cccc2
Isomeric Smiles
C1C(=O)CCc2ccccc12
Calculated Properties
JChem
Acid pKa
15.512386
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2462823
LogD (pH = 7.4)
2.2462823
Log P
2.2462823
Molar Refractivity
44.1816
Polarizability
17.043364
Polar Surface Area
17.07
Rotatable Bonds
0
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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