Molecule

ID:136017

General Information
Structure
MolImage
Molecular Formula
C₅H₈
Molecular Mass
69.10967484
Exact Mass
69.06595509
Charge
0
InChI
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3/i4+1
InChIKey
RRHGJUQNOFWUDK-AZXPZELESA-N
Canonic Smiles
C=[13CH]C(=C)C
Isomeric Smiles
CC(=C)[13CH]=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.8773859
LogD (pH = 7.4)
1.8773859
Log P
1.8773859
Molar Refractivity
24.5764
Polarizability
9.536034
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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