Molecule

ID:48792

General Information
Structure
Molecular Formula
C₇H₁₇ClN₂O₂
Molecular Mass
196.67508
Exact Mass
196.09785547
Charge
0
InChI
InChI=1S/C7H16N2O2.ClH/c1-2-9(5-6-10)7(11)3-4-8;/h10H,2-6,8H2,1H3;1H
InChIKey
VGKKWLIBKCEBFU-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N(CCO)CC.Cl
Isomeric Smiles
C(=O)(N(CCO)CC)CCN.Cl
Calculated Properties
JChem
Acid pKa
15.574277
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.537399
LogD (pH = 7.4)
-3.3146613
Log P
-1.6033473
Molar Refractivity
43.3593
Polarizability
16.996344
Polar Surface Area
66.56
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
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Molecule Details
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References
Bioactivity
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