Molecule

ID:110569

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O
Molecular Mass
198.26036
Exact Mass
198.10446507
Charge
0
InChI
InChI=1S/C14H14O/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11,15H,1H3
InChIKey
XHASMJXNUHCHBL-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C(c1ccccc1)C
Isomeric Smiles
CC(c1ccccc1)c1ccc(O)cc1
Calculated Properties
JChem
Acid pKa
10.10709
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.048483
LogD (pH = 7.4)
4.047647
Log P
4.0484934
Molar Refractivity
62.3247
Polarizability
24.183222
Polar Surface Area
20.23
Rotatable Bonds
2
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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