Molecule

ID:87316

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂Cl₂N₂O₂
Molecular Mass
203.06698
Exact Mass
202.02758299
Charge
0
InChI
InChI=1S/C5H10N2O2.2ClH/c6-3-1-4(5(8)9)7-2-3;;/h3-4,7H,1-2,6H2,(H,8,9);2*1H/t3-,4-;;/m1../s1
InChIKey
YQEVKNLEXCXBHR-XWJKVJTJSA-N
Canonic Smiles
N[C@H]1CN[C@H](C1)C(=O)O.Cl.Cl
Isomeric Smiles
N1[C@H](C[C@H](C1)N)C(=O)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
1.9139624
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-5.6608477
LogD (pH = 7.4)
-4.096585
Log P
-3.8235297
Molar Refractivity
31.0397
Polarizability
12.82288
Polar Surface Area
75.35
Rotatable Bonds
1
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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