Molecule

ID:45673

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁Cl₄NO₂
Molecular Mass
282.97974
Exact Mass
280.95438932
Charge
0
InChI
InChI=1S/C7H10Cl3NO2.ClH/c8-7(9,10)6(12)13-5-2-1-3-11-4-5;/h5,11H,1-4H2;1H
InChIKey
WRUCTFHJPRKXLL-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(Cl)Cl)OC1CCCNC1.Cl
Isomeric Smiles
C(C(=O)OC1CNCCC1)(Cl)(Cl)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.350917
LogD (pH = 7.4)
-0.07218728
Log P
1.7760979
Molar Refractivity
52.863
Polarizability
20.95173
Polar Surface Area
38.33
Rotatable Bonds
3
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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