Molecule

ID:19321

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-3-15-12(16)8-10(14(17)18)13(15)9-6-4-5-7-11(9)19-2/h4-7,10,13H,3,8H2,1-2H3,(H,17,18)/t10-,13+/m1/s1
InChIKey
PSLRPQJJKWEIQG-MFKMUULPSA-N
Canonic Smiles
CCN1C(=O)C[C@H]([C@@H]1c1ccccc1OC)C(=O)O
Isomeric Smiles
[C@@H]1([C@@H](N(C(=O)C1)CC)c1c(OC)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1425514
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.36710355
LogD (pH = 7.4)
-2.065615
Log P
1.0060956
Molar Refractivity
68.7351
Polarizability
26.763123
Polar Surface Area
66.84
Rotatable Bonds
4
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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