Molecule

ID:37711

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-2-15-7-9(12)11-5-3-8(4-6-11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKey
STSLSQLHRCZXIE-UHFFFAOYSA-N
Canonic Smiles
CCOCC(=O)N1CCC(CC1)C(=O)O
Isomeric Smiles
N1(C(=O)COCC)CCC(C(=O)O)CC1
Calculated Properties
JChem
Acid pKa
4.1724253
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6719553
LogD (pH = 7.4)
-3.379167
Log P
-0.32713914
Molar Refractivity
53.8432
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
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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