Molecule

ID:75724

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃Cl₂NO
Molecular Mass
174.06882
Exact Mass
173.0374194
Charge
0
InChI
InChI=1S/C5H12ClNO.ClH/c1-7(2)4-5(8)3-6;/h5,8H,3-4H2,1-2H3;1H
InChIKey
WHDHZGMNEDEKTC-UHFFFAOYSA-N
Canonic Smiles
ClCC(CN(C)C)O.Cl
Isomeric Smiles
ClCC(CN(C)C)O.Cl
Calculated Properties
JChem
Acid pKa
14.008796
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4312096
LogD (pH = 7.4)
-0.6571912
Log P
0.22432436
Molar Refractivity
35.2939
Polarizability
13.931452
Polar Surface Area
23.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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