Molecule

ID:125723

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆
Molecular Mass
136.23404
Exact Mass
136.12520051
Charge
0
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
InChIKey
GRWFGVWFFZKLTI-IUCAKERBSA-N
Canonic Smiles
CC1=CC[C@H]2C[C@@H]1C2(C)C
Isomeric Smiles
C1=C([C@@H]2C[C@H](C1)C2(C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8016615
LogD (pH = 7.4)
2.8016615
Log P
2.8016615
Molar Refractivity
44.7223
Polarizability
17.495043
Polar Surface Area
0.0
Rotatable Bonds
0
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