Molecule

ID:104246

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/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
InChIKey
XMGQYMWWDOXHJM-JTQLQIEISA-N
Canonic Smiles
CC1=CC[C@@H](CC1)C(=C)C
Isomeric Smiles
CC(=C)[C@@H]1CCC(=CC1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2198126
LogD (pH = 7.4)
3.2198126
Log P
3.2198126
Molar Refractivity
46.4803
Polarizability
18.013159
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation