Molecule

ID:129888

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/h4-5,7-9H,6H2,1-3H3
InChIKey
GJYKUZUTZNTBEC-UHFFFAOYSA-N
Canonic Smiles
CC1C=CC2(C1C2)C(C)C
Isomeric Smiles
C1=CC(C)C2CC12C(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.85
LogD (pH = 5.5)
2.85
Log P
2.85
Rotatable Bonds
1
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
17.14
Molar Refractivity
44.99
LOG S
-3.48
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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