Molecule

ID:112698

General Information
Structure
Molecular Formula
C₁₉H₃₂O₂
Molecular Mass
292.45618
Exact Mass
292.24023026
Charge
0
InChI
InChI=1S/C19H32O2/c1-8-19(7,21-18(20)16(4)5)14-10-13-17(6)12-9-11-15(2)3/h8,11,13,16H,1,9-10,12,14H2,2-7H3
InChIKey
TXLYSYOKEBFFAC-UHFFFAOYSA-N
Canonic Smiles
C=CC(OC(=O)C(C)C)(CC/C=C(/CCC=C(C)C)\C)C
Isomeric Smiles
CC(C)C(=O)OC(C)(CC/C=C(\C)/CCC=C(C)C)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.991854
LogD (pH = 7.4)
5.991854
Log P
5.991854
Molar Refractivity
92.3621
Polarizability
35.800842
Polar Surface Area
26.3
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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