Molecule

ID:76741

General Information
Structure
Molecular Formula
C₁₆H₂₄O₃
Molecular Mass
264.35996
Exact Mass
264.17254463
Charge
0
InChI
InChI=1S/C16H24O3/c1-12(2)8-6-9-13(3)10-7-11-16(5)14(4)18-15(17)19-16/h8,10H,4,6-7,9,11H2,1-3,5H3
InChIKey
PNAFHLHESBUDJC-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=C)C(O1)(C)CC/C=C(/CCC=C(C)C)\C
Isomeric Smiles
O1C(=C)C(OC1=O)(CC/C=C(/CCC=C(C)C)\C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6850543
LogD (pH = 7.4)
4.6850543
Log P
4.6850543
Molar Refractivity
78.4153
Polarizability
30.202353
Polar Surface Area
35.53
Rotatable Bonds
6
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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