Molecule

ID:3404

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO₃
Molecular Mass
121.13504
Exact Mass
121.07389322
Charge
0
InChI
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2
InChIKey
LENZDBCJOHFCAS-UHFFFAOYSA-N
Canonic Smiles
OCC(CO)(CO)N
Isomeric Smiles
NC(CO)(CO)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-4.26
LogD (pH = 5.5)
-5.61
Log P
-2.71
Rotatable Bonds
3
H Donor
4
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
8.95
Polar Surface Area
86.71
Polarizability
12.02
Molar Refractivity
28.36
LOG S
1.20
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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