Molecule

ID:118975

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10?/m0/s1
InChIKey
IAIHUHQCLTYTSF-JIBHNJPVSA-N
Canonic Smiles
O[C@@H]1C2(C)CC[C@@H](C1(C)C)C2
Isomeric Smiles
C12([C@H](C([C@@H](C1)CC2)(C)C)O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1453652
LogD (pH = 7.4)
2.1453652
Log P
2.1453652
Molar Refractivity
45.1603
Polarizability
18.31186
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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