Molecule

ID:104672

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆
Molecular Mass
136.23404
Exact Mass
136.12520051
Charge
0
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
InChIKey
YHQGMYUVUMAZJR-UHFFFAOYSA-N
Canonic Smiles
CC1=CC=C(CC1)C(C)C
Isomeric Smiles
CC(C)C1=CC=C(C)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
3.16
LogD (pH = 5.5)
3.16
Log P
3.16
Rotatable Bonds
1
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
17.59
Molar Refractivity
47.55
LOG S
-3.17
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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