Molecule

ID:126760

General Information
Structure
Molecular Formula
C₈H₈
Molecular Mass
104.14912
Exact Mass
104.06260026
Charge
0
InChI
InChI=1S/C8H8/c1-2-5(1)6-3-4(6)8(2)7(1)3/h1-8H
InChIKey
YIJMEXRVJPVGIY-UHFFFAOYSA-N
Canonic Smiles
C12C3C2C2C4C1C3C24
Isomeric Smiles
C12C3C4C3C3C1C2C43
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.44124916
LogD (pH = 7.4)
0.44124916
Log P
0.44124916
Molar Refractivity
29.18
Polarizability
11.820178
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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