Molecule

ID:9345

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₂N
Molecular Mass
190.06976
Exact Mass
189.01120465
Charge
0
InChI
InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
InChIKey
MQPUAVYKVIHUJP-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(ccc(cc1Cl)CCN)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.41236007
LogD (pH = 7.4)
0.3173789
Log P
2.5957649
Molar Refractivity
48.896
Polarizability
19.224382
Polar Surface Area
26.02
Rotatable Bonds
2
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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