Molecule

ID:134291

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClN₂O₂
Molecular Mass
216.66472
Exact Mass
216.06655535
Charge
0
InChI
InChI=1S/C9H12N2O2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,10-11H2,(H,12,13);1H/t8-;/m1./s1
InChIKey
ISCZSPZLBJLJGO-DDWIOCJRSA-N
Canonic Smiles
N[C@@H](C(=O)O)Cc1ccc(cc1)N.Cl
Isomeric Smiles
c1cc(ccc1C[C@H](C(=O)O)N)N.Cl
Calculated Properties
JChem
Acid pKa
1.5364622
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.1933882
LogD (pH = 7.4)
-2.0189147
Log P
-2.0212572
Molar Refractivity
49.8167
Polarizability
19.034864
Polar Surface Area
89.34
Rotatable Bonds
3
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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