Molecule

ID:21504

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₂O₂
Molecular Mass
182.6485
Exact Mass
182.08220541
Charge
0
InChI
InChI=1S/C6H14N2O2.ClH/c1-4(2)10-5(3)6(9)8-7;/h4-5H,7H2,1-3H3,(H,8,9);1H
InChIKey
BEXYQLBEDKOJMZ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(OC(C)C)C.Cl
Isomeric Smiles
C(=O)(C(OC(C)C)C)NN.Cl
Calculated Properties
JChem
Acid pKa
12.746152
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.16095588
LogD (pH = 7.4)
-0.15876818
Log P
-0.15873834
Molar Refractivity
39.0647
Polarizability
15.138
Polar Surface Area
64.35
Rotatable Bonds
3
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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