Molecule

ID:102575

General Information
Structure
Molecular Formula
C₆H₁₆Cl₂N₂O₂
Molecular Mass
219.10944
Exact Mass
218.05888312
Charge
0
InChI
InChI=1S/C6H14N2O2.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);2*1H/t5-;;/m0../s1
InChIKey
JBBURJFZIMRPCZ-XRIGFGBMSA-N
Canonic Smiles
NCCCC[C@@H](C(=O)O)N.Cl.Cl
Isomeric Smiles
Cl.Cl.NCCCC[C@H](N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.7382863
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-5.9555907
LogD (pH = 7.4)
-4.978252
Log P
-3.2145348
Molar Refractivity
37.8095
Polarizability
15.365045
Polar Surface Area
89.34
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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