Molecule

ID:68595

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂Cl₂N₂O₂
Molecular Mass
203.06698
Exact Mass
202.02758299
Charge
0
InChI
InChI=1S/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H/t4-;;/m0../s1
InChIKey
WNSDZBQLMGKPQS-FHNDMYTFSA-N
Canonic Smiles
OC(=O)[C@H]1NCCNC1.Cl.Cl
Isomeric Smiles
N1[C@@H](CNCC1)C(=O)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
1.314084
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.6862261
LogD (pH = 7.4)
-3.5154152
Log P
-3.5175667
Molar Refractivity
31.2787
Polarizability
12.82288
Polar Surface Area
61.36
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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