Molecule

ID:21056

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₃NO
Molecular Mass
268.56738
Exact Mass
266.99844705
Charge
0
InChI
InChI=1S/C10H11Cl2NO.ClH/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H
InChIKey
SHIHUVDMFXISMP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)OC1CNCC1.Cl
Isomeric Smiles
c1cc(OC2CCNC2)cc(c1Cl)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6225
LogD (pH = 7.4)
-0.1248581
Log P
2.6074624
Molar Refractivity
57.4218
Polarizability
22.956556
Polar Surface Area
21.26
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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