Molecule

ID:128725

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄O₃
Molecular Mass
276.37066
Exact Mass
276.17254463
Charge
0
InChI
InChI=1S/C17H24O3/c1-13-6-5-10-17(3,4)16(13)8-7-15(12-18)9-11-20-14(2)19/h7,9,11-12,16H,1,5-6,8,10H2,2-4H3
InChIKey
BEKQPDFPPJFVJP-UHFFFAOYSA-N
Canonic Smiles
O=C/C(=C\CC1C(=C)CCCC1(C)C)/C=C/OC(=O)C
Isomeric Smiles
CC(=O)O/C=C/C(=C/CC1C(=C)CCCC1(C)C)/C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.190087
LogD (pH = 7.4)
3.190087
Log P
3.190087
Molar Refractivity
81.2721
Polarizability
31.424309
Polar Surface Area
43.37
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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