Molecule

ID:45663

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄Cl₂N₂O
Molecular Mass
213.10486
Exact Mass
212.04831844
Charge
0
InChI
InChI=1S/C7H13ClN2O.ClH/c8-5-7(11)10-6-1-3-9-4-2-6;/h6,9H,1-5H2,(H,10,11);1H
InChIKey
SBUAUQPVXPUZPX-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NC1CCNCC1.Cl
Isomeric Smiles
C(=O)(NC1CCNCC1)CCl.Cl
Calculated Properties
JChem
Acid pKa
13.190026
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.8457098
LogD (pH = 7.4)
-3.1613476
Log P
-0.6255103
Molar Refractivity
44.2722
Polarizability
17.496271
Polar Surface Area
41.13
Rotatable Bonds
2
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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