Molecule

ID:135686

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆
Molecular Mass
136.23404
Exact Mass
136.12520051
Charge
0
InChI
InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
InChIKey
CRPUJAZIXJMDBK-DTWKUNHWSA-N
Canonic Smiles
C=C1[C@H]2CC[C@@H](C1(C)C)C2
Isomeric Smiles
CC1([C@@H]2CC[C@@H](C2)C1=C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.86
LogD (pH = 5.5)
2.86
Log P
2.86
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
16.95
Molar Refractivity
43.65
LOG S
-3.62
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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