Molecule

ID:22220

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₄
Molecular Mass
190.19706
Exact Mass
190.09535694
Charge
0
InChI
InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChIKey
GMKMEZVLHJARHF-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)CCCC(C(=O)O)N
Isomeric Smiles
C(CCCC(C(=O)O)N)(C(=O)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-5.55
LogD (pH = 5.5)
-5.55
Log P
-5.55
Rotatable Bonds
6
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.85
Polar Surface Area
126.64
Polarizability
18.89
Molar Refractivity
43.64
LOG S
-0.21
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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