Molecule
ID:70030
General Information
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-15-10(13)7-8-12-11(14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)
InChIKey
RZZNKCALONWEAZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNC(=O)c1ccccc1
Isomeric Smiles
C(=O)(CCNC(=O)c1ccccc1)OC
Calculated Properties
JChem
Acid pKa
15.001735
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9084521
LogD (pH = 7.4)
0.9084523
Log P
0.9084523
Molar Refractivity
55.5862
Polarizability
21.31133
Polar Surface Area
55.4
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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