Molecule

ID:65850

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₂
Molecular Mass
214.25976
Exact Mass
214.09937969
Charge
0
InChI
InChI=1S/C14H14O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9,14-16H,10H2
InChIKey
OQOCSCWMMZVDHS-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccc1O)Cc1ccccc1
Isomeric Smiles
c1ccc(c(c1)C(Cc1ccccc1)O)O
Calculated Properties
JChem
Acid pKa
9.88742
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9752145
LogD (pH = 7.4)
2.9738295
Log P
2.9752321
Molar Refractivity
63.8926
Polarizability
24.75786
Polar Surface Area
40.46
Rotatable Bonds
3
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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