Molecule

ID:129353

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆
Molecular Mass
136.23404
Exact Mass
136.12520051
Charge
0
InChI
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
InChIKey
NDVASEGYNIMXJL-UHFFFAOYSA-N
Canonic Smiles
C=C1CCC2(C1C2)C(C)C
Isomeric Smiles
C=C1C2CC2(C(C)C)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
2.86
LogD (pH = 5.5)
2.86
Log P
2.86
Rotatable Bonds
1
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
17.22
Molar Refractivity
43.65
LOG S
-3.49
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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