Molecule

ID:45656

General Information
Structure
Molecular Formula
C₈H₁₅Cl₂NO₂
Molecular Mass
228.1162
Exact Mass
227.04798409
Charge
0
InChI
InChI=1S/C8H14ClNO2.ClH/c9-5-8(11)12-6-7-1-3-10-4-2-7;/h7,10H,1-6H2;1H
InChIKey
WBJBPYVNUMIJPE-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(OCC1CCNCC1)CCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6671698
LogD (pH = 7.4)
-2.2063982
Log P
0.56425107
Molar Refractivity
47.1404
Polarizability
18.903395
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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