Molecule

ID:7876

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O
Molecular Mass
198.26036
Exact Mass
198.10446507
Charge
0
InChI
InChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
GQLYCRTUQGSDSM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
c1cccc(c1)Cc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9073687
LogD (pH = 7.4)
3.9073687
Log P
3.9073687
Molar Refractivity
62.2584
Polarizability
24.260422
Polar Surface Area
9.23
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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