Molecule

ID:78369

General Information
Structure
Loading...
Molecular Formula
C₁₃H₁₀
Molecular Mass
166.2185
Exact Mass
166.07825032
Charge
0
InChI
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
InChIKey
NIHNNTQXNPWCJQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc2-c3c(Cc2c1)cccc3
Isomeric Smiles
c1ccc2c(c1)Cc1c2cccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.74
LogD (pH = 5.5)
3.74
Log P
3.74
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
16.93
Polar Surface Area
0.00
Polarizability
19.36
Molar Refractivity
54.87
LOG S
-4.19
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
Loading...
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...