Molecule

ID:41424

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₄
Molecular Mass
221.20934
Exact Mass
221.06880784
Charge
0
InChI
InChI=1S/C11H11NO4/c1-15-10(13)6-7-16-11(14)8-2-4-9(12)5-3-8/h2-7H,12H2,1H3/b7-6+
InChIKey
MIHJXRPOCKDWIE-VOTSOKGWSA-N
Canonic Smiles
COC(=O)/C=C/OC(=O)c1ccc(cc1)N
Isomeric Smiles
C(=C\OC(=O)c1ccc(N)cc1)/C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4573258
LogD (pH = 7.4)
1.4578305
Log P
1.457837
Molar Refractivity
58.5606
Polarizability
21.976208
Polar Surface Area
78.62
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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