Molecule

ID:41897

General Information
Structure
Molecular Formula
C₁₇H₁₆O₃
Molecular Mass
268.30714
Exact Mass
268.10994437
Charge
0
InChI
InChI=1S/C17H16O3/c1-19-16-11-7-6-10-14(16)12-15(17(18)20-2)13-8-4-3-5-9-13/h3-12H,1-2H3/b15-12+
InChIKey
UUSSHPCKCXANHC-NTCAYCPXSA-N
Canonic Smiles
COC(=O)/C(=C/c1ccccc1OC)/c1ccccc1
Isomeric Smiles
C(=C\c1c(OC)cccc1)(/C(=O)OC)\c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.02573
LogD (pH = 7.4)
4.02573
Log P
4.02573
Molar Refractivity
78.7443
Polarizability
30.474878
Polar Surface Area
35.53
Rotatable Bonds
5
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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