Molecule

ID:58515

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O
Molecular Mass
180.2866
Exact Mass
180.15141526
Charge
0
InChI
InChI=1S/C12H20O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9,13H,3-8H2,1-2H3
InChIKey
LBWCITVBZLTEKW-UHFFFAOYSA-N
Canonic Smiles
CC12CC3CC(C1)(C)CC(C2)(C3)O
Isomeric Smiles
C1C2(CC3(CC1(CC(C2)C3)C)O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1729233
LogD (pH = 7.4)
2.1729236
Log P
2.1729236
Molar Refractivity
52.8283
Polarizability
21.266855
Polar Surface Area
20.23
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
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References
Bioactivity
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