Molecule
ID:128354
General Information
Molecular Formula
C₆H₈
Molecular Mass
80.12772
Exact Mass
80.06260026
Charge
0
InChI
InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3
InChIKey
NFWSQSCIDYBUOU-UHFFFAOYSA-N
Canonic Smiles
CC1=CC=CC1
Isomeric Smiles
C1=CC=C(C)C1
Calculated Properties
JChem
Acid pKa
16.388786
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.7423613
LogD (pH = 7.4)
1.7423613
Log P
1.7423613
Molar Refractivity
29.5202
Polarizability
10.6272135
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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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
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References
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Bioactivity
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