Molecule

ID:133006

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀ClNO₅
Molecular Mass
245.7011
Exact Mass
245.10300043
Charge
0
InChI
InChI=1S/C8H19NO5.ClH/c10-3-1-9(2-4-11)8(5-12,6-13)7-14;/h10-14H,1-7H2;1H
InChIKey
VEYRVLHAMHQVTC-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(CO)(CO)CO)CCO.Cl
Isomeric Smiles
C(CO)N(CCO)C(CO)(CO)CO.Cl
Calculated Properties
JChem
Acid pKa
14.119829
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-5.8113337
LogD (pH = 7.4)
-4.0409145
Log P
-3.276805
Molar Refractivity
51.0094
Polarizability
20.21558
Polar Surface Area
104.39
Rotatable Bonds
8
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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