Molecule

ID:85189

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂
Molecular Mass
168.62346
Exact Mass
168.04542598
Charge
0
InChI
InChI=1S/C8H8N2.ClH/c9-8-7-4-2-1-3-6(7)5-10-8;/h1-4H,5H2,(H2,9,10);1H
InChIKey
MRLAJFUGSBSFDH-UHFFFAOYSA-N
Canonic Smiles
NC1=NCc2c1cccc2.Cl
Isomeric Smiles
N1=C(c2ccccc2C1)N.Cl
Calculated Properties
JChem
Acid pKa
14.561257
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5324831
LogD (pH = 7.4)
-0.9853683
Log P
0.86861765
Molar Refractivity
40.7669
Polarizability
15.131948
Polar Surface Area
38.38
Rotatable Bonds
0
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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