Molecule

ID:126825

General Information
Structure
Molecular Formula
C₁₄H₁₄
Molecular Mass
182.26096
Exact Mass
182.10955045
Charge
0
InChI
InChI=1S/C14H14/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-14H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,9-7-,10-8-,11-9-,12-10-,13-11-,14-12-,14-13-
InChIKey
RYQWRHUSMUEYST-IKMOXOOUSA-N
Canonic Smiles
c1ccccccccccccc1
Isomeric Smiles
c\1c\cc/cc\cc/cc\cc/cc1
Calculated Properties
JChem
LogD (pH = 7.4)
4.60
LogD (pH = 5.5)
4.60
Log P
4.60
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
21.54
Molar Refractivity
60.80
LOG S
-4.78
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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