Molecule

ID:45652

General Information
Structure
Molecular Formula
C₇H₁₃Cl₂NO₂
Molecular Mass
214.08962
Exact Mass
213.03233402
Charge
0
InChI
InChI=1S/C7H12ClNO2.ClH/c8-4-7(10)11-6-2-1-3-9-5-6;/h6,9H,1-5H2;1H
InChIKey
LTHPWFFNDVWGNB-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OC1CNCCC1)CCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5659804
LogD (pH = 7.4)
-1.2873089
Log P
0.5610533
Molar Refractivity
42.1016
Polarizability
17.078058
Polar Surface Area
38.33
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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