Molecule

ID:3285

General Information
Structure
Molecular Formula
C₁₀H₁₆
Molecular Mass
136.23404
Exact Mass
136.12520051
Charge
0
InChI
InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2
InChIKey
ORILYTVJVMAKLC-UHFFFAOYSA-N
Canonic Smiles
C1C2CC3CC1CC(C2)C3
Isomeric Smiles
C1C2CC3CC1CC(C2)C3
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8880365
LogD (pH = 7.4)
2.8880365
Log P
2.8880365
Molar Refractivity
42.196
Polarizability
16.98449
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.22
LOG S
-4.44
Solubility (Water)
4.91e-03 g/l
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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