Molecule

ID:91412

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O
Molecular Mass
146.1858
Exact Mass
146.07316494
Charge
0
InChI
InChI=1S/C10H10O/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
BVQSFCUGCAZOJQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(C1)c1ccccc1
Isomeric Smiles
O=C1CC(C1)c1ccccc1
Calculated Properties
JChem
Acid pKa
19.501875
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.01988
LogD (pH = 7.4)
2.01988
Log P
2.01988
Molar Refractivity
43.689
Polarizability
17.046747
Polar Surface Area
17.07
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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