Molecule

ID:110378

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈O₂
Molecular Mass
264.40302
Exact Mass
264.20893014
Charge
0
InChI
InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1
InChIKey
HQKQRXZEXPXXIG-DTWJZALFSA-N
Canonic Smiles
CC(=O)O[C@]1(C)CC[C@@]23C[C@H]1C(C)(C)[C@@H]2CC[C@H]3C
Isomeric Smiles
O([C@@]1(CC[C@@]23[C@@H](CC[C@H]2C)C([C@@H]1C3)(C)C)C)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6326559
LogD (pH = 7.4)
3.6326559
Log P
3.6326559
Molar Refractivity
75.678
Polarizability
30.618216
Polar Surface Area
26.3
Rotatable Bonds
2
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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