Molecule

ID:44042

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂
Molecular Mass
156.61276
Exact Mass
156.04542598
Charge
0
InChI
InChI=1S/C7H9ClN2/c1-9-5-6-3-2-4-10-7(6)8/h2-4,9H,5H2,1H3
InChIKey
IHVZCMZHYFPHSZ-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccnc1Cl
Isomeric Smiles
c1(c(CNC)cccn1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.661108
LogD (pH = 7.4)
0.014587721
Log P
1.138144
Molar Refractivity
43.0152
Polarizability
16.56588
Polar Surface Area
24.92
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
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References
Bioactivity
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