Molecule

ID:44429

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-15-11(14(18)19-2)8-10(13(16)17)12(15)9-6-4-3-5-7-9/h3-7,10-12H,8H2,1-2H3,(H,16,17)
InChIKey
GGEAEPCMLBSHJG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CC(C(N1C)c1ccccc1)C(=O)O
Isomeric Smiles
N1(C(C(CC1C(=O)OC)C(=O)O)c1ccccc1)C
Calculated Properties
JChem
Acid pKa
3.361907
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0661825
LogD (pH = 7.4)
-1.2839919
Log P
-1.0691421
Molar Refractivity
68.4968
Polarizability
27.156757
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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