Molecule

ID:125162

General Information
Structure
MolImage
Molecular Formula
C₄H₆
Molecular Mass
54.09044
Exact Mass
54.04695019
Charge
0
InChI
InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3
InChIKey
SHDPRTQPPWIEJG-UHFFFAOYSA-N
Canonic Smiles
CC1=CC1
Isomeric Smiles
C1=C(C)C1
Calculated Properties
JChem
LogD (pH = 7.4)
1.22
LogD (pH = 5.5)
1.22
Log P
1.22
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
6.68
Molar Refractivity
19.20
LOG S
-0.81
Data Source
Names and Identifiers
Registration numbers
Properties
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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