Molecule

ID:44822

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O
Molecular Mass
198.26036
Exact Mass
198.10446507
Charge
0
InChI
InChI=1S/C14H14O/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKey
CLGLKAAXNFFWON-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)ccc(cc1)CCO
Calculated Properties
JChem
Acid pKa
15.877531
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1417825
LogD (pH = 7.4)
3.1417825
Log P
3.1417825
Molar Refractivity
62.7651
Polarizability
25.635176
Polar Surface Area
20.23
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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