Molecule

ID:48845

General Information
Structure
Molecular Formula
C₇H₁₇ClN₂O₂
Molecular Mass
196.67508
Exact Mass
196.09785547
Charge
0
InChI
InChI=1S/C7H16N2O2.ClH/c1-7(2,8)6(11)9(3)4-5-10;/h10H,4-5,8H2,1-3H3;1H
InChIKey
TWWJZOUWUVAINP-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)C(N)(C)C)C.Cl
Isomeric Smiles
C(=O)(C(N)(C)C)N(CCO)C.Cl
Calculated Properties
JChem
Acid pKa
15.574753
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.9763086
LogD (pH = 7.4)
-2.4489942
Log P
-1.195638
Molar Refractivity
43.1185
Polarizability
16.996344
Polar Surface Area
66.56
Rotatable Bonds
3
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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