Molecule

ID:90663

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Cl₂N
Molecular Mass
204.09634
Exact Mass
203.02685472
Charge
0
InChI
InChI=1S/C9H10ClN.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
InChIKey
ZWSHFWNTCCKFHL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1C1(N)CC1.Cl
Isomeric Smiles
NC1(c2ccccc2Cl)CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8740201
LogD (pH = 7.4)
0.206328
Log P
2.0923922
Molar Refractivity
46.437
Polarizability
18.511108
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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