Molecule

ID:26855

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₂
Molecular Mass
166.60758
Exact Mass
166.02977591
Charge
0
InChI
InChI=1S/C8H7ClN2/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-4,6H,5H2
InChIKey
LBCREEUWXFNSAC-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc2n(c1)cccc2
Isomeric Smiles
n1c2n(cc1CCl)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8960756
LogD (pH = 7.4)
1.4143387
Log P
1.4282634
Molar Refractivity
45.2811
Polarizability
16.947428
Polar Surface Area
17.3
Rotatable Bonds
1
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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