Molecule

ID:102165

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₄
Molecular Mass
161.15584
Exact Mass
161.06880784
Charge
0
InChI
InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKey
OYIFNHCXNCRBQI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(C(=O)O)N
Isomeric Smiles
NC(CCCC(=O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.63
LogD (pH = 5.5)
-3.87
Log P
-2.80
Rotatable Bonds
5
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
2.01
Polar Surface Area
100.62
Polarizability
15.36
Molar Refractivity
35.89
LOG S
0.12
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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