Molecule

ID:125980

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂O₃
Molecular Mass
298.37618
Exact Mass
298.15689456
Charge
0
InChI
InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3
InChIKey
RSDDHGSKLOSQFK-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\COc1ccc2c(c1)oc(=O)cc2)/CCC=C(C)C
Isomeric Smiles
O=c1oc2cc(OC/C=C(\C)/CCC=C(C)C)ccc2cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.646649
LogD (pH = 7.4)
4.646649
Log P
4.646649
Molar Refractivity
90.9326
Polarizability
34.31586
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
References
Bioactivity
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