Molecule

ID:106989

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-/m1/s1
InChIKey
GRWFGVWFFZKLTI-RKDXNWHRSA-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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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