Molecule

ID:129986

General Information
Structure
Molecular Formula
C₁₂H₁₂
Molecular Mass
156.22368
Exact Mass
156.09390038
Charge
0
InChI
InChI=1S/C12H12/c1-2-8-7(1)9-3-4-11(9)12-6-5-10(8)12/h1-6H2
InChIKey
MTPUNWSZJLTTLU-UHFFFAOYSA-N
Canonic Smiles
C1Cc2c1c1CCc1c1c2CC1
Isomeric Smiles
c12c3c(c4c(c1CC2)CC4)CC3
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6625965
LogD (pH = 7.4)
3.6625965
Log P
3.6625965
Molar Refractivity
50.8986
Polarizability
18.74386
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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