Molecule

ID:90669

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂N
Molecular Mass
218.12292
Exact Mass
217.04250478
Charge
0
InChI
InChI=1S/C10H12ClN.ClH/c11-9-5-2-1-4-8(9)10(12)6-3-7-10;/h1-2,4-5H,3,6-7,12H2;1H
InChIKey
KKBTUTICMYPLQA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1C1(N)CCC1.Cl
Isomeric Smiles
Cl.NC1(c2c(cccc2)Cl)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.45576528
LogD (pH = 7.4)
0.44273815
Log P
2.5369608
Molar Refractivity
51.038
Polarizability
20.354647
Polar Surface Area
26.02
Rotatable Bonds
1
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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