Molecule

ID:36089

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-5-19-14(16)13-8(2)12-10(15-13)6-9(17-3)7-11(12)18-4/h6-7,15H,5H2,1-4H3
InChIKey
NVFCNFCLPKVPSW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1C)c(OC)cc(c2)OC
Isomeric Smiles
[nH]1c(c(C)c2c1cc(cc2OC)OC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.697844
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5503726
LogD (pH = 7.4)
2.5503707
Log P
2.5503726
Molar Refractivity
71.7635
Polarizability
28.602472
Polar Surface Area
60.55
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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