Molecule

ID:112079

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂ClNO₇
Molecular Mass
291.72648
Exact Mass
291.10847973
Charge
0
InChI
InChI=1S/C9H21NO7.ClH/c1-10-2-4(12)6(14)8(16)9(17)7(15)5(13)3-11;/h4-17H,2-3H2,1H3;1H
InChIKey
HZOZYFDVWQWHJP-UHFFFAOYSA-N
Canonic Smiles
CNCC(C(C(C(C(C(CO)O)O)O)O)O)O.Cl
Isomeric Smiles
Cl.CNCC(O)C(O)C(O)C(O)C(O)C(O)CO
Calculated Properties
JChem
Acid pKa
12.401667
H Acceptors
8
H Donor
8
LogD (pH = 5.5)
-7.7533183
LogD (pH = 7.4)
-6.3743205
Log P
-4.66499
Molar Refractivity
56.7607
Polarizability
23.419727
Polar Surface Area
153.64
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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