Molecule

ID:69391

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₃
Molecular Mass
231.67606
Exact Mass
231.06622099
Charge
0
InChI
InChI=1S/C10H13NO3.ClH/c11-9(6-12)10(13)14-7-8-4-2-1-3-5-8;/h1-5,9,12H,6-7,11H2;1H/t9-;/m0./s1
InChIKey
MGZWCDQAKCHOBX-FVGYRXGTSA-N
Canonic Smiles
OC[C@@H](C(=O)OCc1ccccc1)N.Cl
Isomeric Smiles
C(=O)([C@H](CO)N)OCc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
14.880773
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0837392
LogD (pH = 7.4)
0.14421314
Log P
0.2447459
Molar Refractivity
51.4227
Polarizability
20.607536
Polar Surface Area
72.55
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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