Molecule

ID:90048

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂
Molecular Mass
132.20228
Exact Mass
132.09390038
Charge
0
InChI
InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3
InChIKey
DBWWINQJTZYDFK-UHFFFAOYSA-N
Canonic Smiles
C=Cc1cc(C)ccc1C
Isomeric Smiles
C=Cc1c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7367907
LogD (pH = 7.4)
3.7367907
Log P
3.7367907
Molar Refractivity
45.8267
Polarizability
17.47213
Polar Surface Area
0.0
Rotatable Bonds
1
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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