Molecule

ID:21908

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇ClN₂O₂
Molecular Mass
196.67508
Exact Mass
196.09785547
Charge
0
InChI
InChI=1S/C7H16N2O2.ClH/c1-4-6(7(10)9-8)11-5(2)3;/h5-6H,4,8H2,1-3H3,(H,9,10);1H
InChIKey
CNVMOMYUJOHBRV-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)NN)OC(C)C.Cl
Isomeric Smiles
C(=O)(C(OC(C)C)CC)NN.Cl
Calculated Properties
JChem
Acid pKa
12.813833
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.36156896
LogD (pH = 7.4)
0.3637545
Log P
0.36378404
Molar Refractivity
43.5887
Polarizability
16.969986
Polar Surface Area
64.35
Rotatable Bonds
4
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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