Molecule

ID:128690

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆
Molecular Mass
136.23404
Exact Mass
136.12520051
Charge
0
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3
InChIKey
XJPBRODHZKDRCB-UHFFFAOYSA-N
Canonic Smiles
C=C/C(=C/CCC(=C)C)/C
Isomeric Smiles
C=C/C(=C/CCC(=C)C)/C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5371
LogD (pH = 7.4)
3.5371
Log P
3.5371
Molar Refractivity
48.379
Polarizability
18.538834
Polar Surface Area
0.0
Rotatable Bonds
4
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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