Molecule

ID:110490

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆O
Molecular Mass
222.36634
Exact Mass
222.19836545
Charge
0
InChI
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
InChIKey
SVURIXNDRWRAFU-OGMFBOKVSA-N
Canonic Smiles
C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]([C@@H](C3)C2(C)C)(C)O
Isomeric Smiles
O[C@@]1(CC[C@@]23[C@@H](CC[C@H]2C)C([C@@H]1C3)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1915302
LogD (pH = 7.4)
3.1915305
Log P
3.1915305
Molar Refractivity
66.5265
Polarizability
26.800741
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
References
Bioactivity
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