Molecule

ID:31687

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-3-16-13(17)9-8-11(15(18)19)14(16)10-6-4-5-7-12(10)20-2/h4-7,11,14H,3,8-9H2,1-2H3,(H,18,19)/t11-,14+/m1/s1
InChIKey
GKZIJOUYZWYCFA-RISCZKNCSA-N
Canonic Smiles
CCN1C(=O)CC[C@H]([C@@H]1c1ccccc1OC)C(=O)O
Isomeric Smiles
[C@H]1(N(C(=O)CC[C@H]1C(=O)O)CC)c1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
4.2173324
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1483634
LogD (pH = 7.4)
-1.5709279
Log P
1.4506643
Molar Refractivity
73.3361
Polarizability
28.595993
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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