Molecule

ID:70441

General Information
Structure
MolImage
Molecular Formula
C₅H₁₆Cl₂N₂
Molecular Mass
175.09994
Exact Mass
174.06905388
Charge
0
InChI
InChI=1S/C5H14N2.2ClH/c1-6-4-5-7(2)3;;/h6H,4-5H2,1-3H3;2*1H
InChIKey
JCPFKECTFKUEPV-UHFFFAOYSA-N
Canonic Smiles
CNCCN(C)C.Cl.Cl
Isomeric Smiles
C(CNC)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.464481
LogD (pH = 7.4)
-2.7077408
Log P
-0.17423394
Molar Refractivity
32.7125
Polarizability
13.012255
Polar Surface Area
15.27
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
No Data Available
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Molecule Details
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References
Bioactivity
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