Molecule

ID:127133

General Information
Structure
Molecular Formula
C₁₃H₁₂
Molecular Mass
168.23438
Exact Mass
168.09390038
Charge
0
InChI
InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
CZZYITDELCSZES-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)Cc1ccccc1
Isomeric Smiles
c1c(cccc1)Cc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
4.07
LogD (pH = 5.5)
4.07
Log P
4.07
Rotatable Bonds
2
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
19.48
Molar Refractivity
55.80
LOG S
-3.35
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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