Molecule

ID:45660

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃Cl₂NO₂
Molecular Mass
214.08962
Exact Mass
213.03233402
Charge
0
InChI
InChI=1S/C7H12ClNO2.ClH/c8-3-7(10)11-5-6-1-2-9-4-6;/h6,9H,1-5H2;1H
InChIKey
GRTDCNBZMUNRGR-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OCC1CNCC1.Cl
Isomeric Smiles
C(=O)(OCC1CNCC1)CCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0792356
LogD (pH = 7.4)
-2.9724352
Log P
0.16123915
Molar Refractivity
42.4406
Polarizability
17.078058
Polar Surface Area
38.33
Rotatable Bonds
4
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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