Molecule

ID:103579

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO₃
Molecular Mass
183.63326
Exact Mass
183.06622099
Charge
0
InChI
InChI=1S/C6H13NO3.ClH/c1-4(9)6(10)5(7)2-3-8;/h3-6,9-10H,2,7H2,1H3;1H/t4-,5-,6+;/m0./s1
InChIKey
FHYCNFQONIRRCV-WLUDYRNVSA-N
Canonic Smiles
C[C@@H]([C@H]([C@H](CC=O)N)O)O.Cl
Isomeric Smiles
O=CC[C@H](N)[C@H](O)[C@@H](O)C.Cl
Calculated Properties
JChem
Acid pKa
12.420751
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.8087287
LogD (pH = 7.4)
-3.4718125
Log P
-1.9131739
Molar Refractivity
36.1212
Polarizability
14.673558
Polar Surface Area
83.55
Rotatable Bonds
4
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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