Molecule

ID:66355

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₂N
Molecular Mass
190.06976
Exact Mass
189.01120465
Charge
0
InChI
InChI=1S/C8H9Cl2N/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3
InChIKey
GPHWXLUNCPECQB-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1Cl)Cl
Isomeric Smiles
N(C)Cc1c(c(ccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.18768238
LogD (pH = 7.4)
1.4095663
Log P
2.739684
Molar Refractivity
48.9156
Polarizability
19.303654
Polar Surface Area
12.03
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
No Data Available
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Molecule Details
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References
Bioactivity
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