Molecule

ID:75577

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂
Molecular Mass
168.62346
Exact Mass
168.04542598
Charge
0
InChI
InChI=1S/C8H8N2.ClH/c1-7-3-2-4-8-9-5-6-10(7)8;/h2-6H,1H3;1H
InChIKey
IVJSCBJKEPHBEH-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2n1ccn2.Cl
Isomeric Smiles
n1c2n(c(ccc2)C)cc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.121721946
LogD (pH = 7.4)
0.8950867
Log P
0.95911074
Molar Refractivity
41.0861
Polarizability
15.052491
Polar Surface Area
17.3
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
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References
Bioactivity
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