Molecule

ID:75866

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂
Molecular Mass
156.61276
Exact Mass
156.04542598
Charge
0
InChI
InChI=1S/C7H9ClN2/c1-9-5-6-2-3-10-7(8)4-6/h2-4,9H,5H2,1H3
InChIKey
NIBLXLUVASMQFM-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccnc(c1)Cl
Isomeric Smiles
n1c(cc(cc1)CNC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9667747
LogD (pH = 7.4)
-0.6267264
Log P
1.138144
Molar Refractivity
43.0152
Polarizability
16.5619
Polar Surface Area
24.92
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
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Molecule Details
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References
Bioactivity
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