Molecule

ID:40362

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀O₂
Molecular Mass
256.3395
Exact Mass
256.14632988
Charge
0
InChI
InChI=1S/C17H20O2/c1-14-4-6-16(7-5-14)13-19-17-10-8-15(9-11-17)3-2-12-18/h4-11,18H,2-3,12-13H2,1H3
InChIKey
VCGBLTKXKLQXIE-UHFFFAOYSA-N
Canonic Smiles
OCCCc1ccc(cc1)OCc1ccc(cc1)C
Isomeric Smiles
O(c1ccc(cc1)CCCO)Cc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
15.963386
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.019349
LogD (pH = 7.4)
4.019349
Log P
4.019349
Molar Refractivity
78.3469
Polarizability
30.290234
Polar Surface Area
29.46
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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