Molecule

ID:70402

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂N
Molecular Mass
218.12292
Exact Mass
217.04250478
Charge
0
InChI
InChI=1S/C10H12ClN.ClH/c11-10-4-2-1-3-9(10)8-5-6-12-7-8;/h1-4,8,12H,5-7H2;1H
InChIKey
QNOZWUMAYVLCKF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1C1CNCC1.Cl
Isomeric Smiles
N1CC(CC1)c1c(cccc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.92279536
LogD (pH = 7.4)
-0.71147275
Log P
2.3157406
Molar Refractivity
51.6058
Polarizability
20.275461
Polar Surface Area
12.03
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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