Molecule

ID:102459

General Information
Structure
Molecular Formula
C₆H₁₄ClNO₅
Molecular Mass
215.63206
Exact Mass
215.05605023
Charge
0
InChI
InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4+,5+,6+;/m0./s1
InChIKey
CBOJBBMQJBVCMW-BTVCFUMJSA-N
Canonic Smiles
OC[C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O.Cl
Isomeric Smiles
Cl.O=C[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
Calculated Properties
JChem
Acid pKa
12.77282
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-5.044167
LogD (pH = 7.4)
-3.7850635
Log P
-3.6752424
Molar Refractivity
39.0031
Polarizability
16.05734
Polar Surface Area
124.01
Rotatable Bonds
5
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
No Data Available
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Molecule Details
References
Bioactivity
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