Molecule

ID:88602

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O
Molecular Mass
180.2866
Exact Mass
180.15141526
Charge
0
InChI
InChI=1S/C12H20O/c1-2-12(13)10-4-8-3-9(6-10)7-11(12)5-8/h8-11,13H,2-7H2,1H3
InChIKey
YUBKBLFRGDNIDR-UHFFFAOYSA-N
Canonic Smiles
CCC1(O)C2CC3CC1CC(C2)C3
Isomeric Smiles
OC1(C2CC3CC1CC(C3)C2)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.460324
LogD (pH = 7.4)
2.4603245
Log P
2.4603245
Molar Refractivity
52.8737
Polarizability
21.266855
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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