Molecule

ID:56061

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₅
Molecular Mass
277.2726
Exact Mass
277.09502259
Charge
0
InChI
InChI=1S/C14H15NO5/c1-17-11-6-9(5-10(8-15)14(16)20-4)7-12(18-2)13(11)19-3/h5-7H,1-4H3/b10-5+
InChIKey
YMKQWEVZPPOJHK-BJMVGYQFSA-N
Canonic Smiles
COC(=O)/C(=C/c1cc(OC)c(c(c1)OC)OC)/C#N
Isomeric Smiles
c1(cc(cc(c1OC)OC)/C=C(\C#N)/C(=O)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.8541585
LogD (pH = 7.4)
1.8541585
Log P
1.8541585
Molar Refractivity
72.2722
Polarizability
27.582819
Polar Surface Area
77.78
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
No Data Available
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Molecule Details
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References
Bioactivity
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