Molecule

ID:1668

General Information
Structure
MolImage
Molecular Formula
C₇H₈
Molecular Mass
92.13842
Exact Mass
92.06260026
Charge
0
InChI
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
YXFVVABEGXRONW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1
Isomeric Smiles
Cc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.49
LogD (pH = 5.5)
2.49
Log P
2.49
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
10.97
Molar Refractivity
31.10
LOG S
-1.81
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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