Molecule

ID:63099

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
VEFHUWJIRFTGRB-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC(C1)CC(=O)O)OC(C)(C)C
Isomeric Smiles
N1(CC(CC(=O)O)C1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.4516635
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5017188
LogD (pH = 7.4)
-2.2652483
Log P
0.58239985
Molar Refractivity
53.2677
Polarizability
20.932104
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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