Molecule

ID:3140

General Information
Structure
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Molecular Formula
C₈H₁₀
Molecular Mass
106.165
Exact Mass
106.07825032
Charge
0
InChI
InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
InChIKey
URLKBWYHVLBVBO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C
Isomeric Smiles
Cc1ccc(C)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.00
LogD (pH = 5.5)
3.00
Log P
3.00
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
13.12
Molar Refractivity
36.14
LOG S
-2.36
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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