Molecule

ID:126089

General Information
Structure
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Molecular Formula
C₈H₈
Molecular Mass
104.14912
Exact Mass
104.06260026
Charge
0
InChI
InChI=1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2
InChIKey
UMIVXZPTRXBADB-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)CC2
Isomeric Smiles
c12ccccc1CC2
Calculated Properties
JChem
LogD (pH = 7.4)
2.54
LogD (pH = 5.5)
2.54
Log P
2.54
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
12.42
Molar Refractivity
34.34
LOG S
-2.21
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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