Molecule

ID:133121

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₄
Molecular Mass
247.67546
Exact Mass
247.06113561
Charge
0
InChI
InChI=1S/C10H13NO4.ClH/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6;/h2-3,5,7,12-13H,4,11H2,1H3;1H/t7-;/m0./s1
InChIKey
WFGNJLMSYIJWII-FJXQXJEOSA-N
Canonic Smiles
COC(=O)[C@H](Cc1ccc(c(c1)O)O)N.Cl
Isomeric Smiles
COC(=O)[C@H](Cc1ccc(c(c1)O)O)N.Cl
Calculated Properties
JChem
Acid pKa
9.287385
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.859299
LogD (pH = 7.4)
0.47306353
Log P
0.6163785
Molar Refractivity
53.8472
Polarizability
21.232527
Polar Surface Area
92.78
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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