Molecule

ID:119939

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₃
Molecular Mass
245.70264
Exact Mass
245.08187106
Charge
0
InChI
InChI=1S/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;/h3-6,10,13H,2,7,12H2,1H3;1H
InChIKey
BQULAXAVRFIAHN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)[C@H](Cc1ccc(cc1)O)N.Cl
Isomeric Smiles
C(=O)([C@H](Cc1ccc(cc1)O)N)OCC.Cl
Calculated Properties
JChem
Acid pKa
9.505286
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.21545488
LogD (pH = 7.4)
1.1307226
Log P
1.2767518
Molar Refractivity
56.6149
Polarizability
22.433064
Polar Surface Area
72.55
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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