Molecule

ID:15867

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂O
Molecular Mass
184.62286
Exact Mass
184.0403406
Charge
0
InChI
InChI=1S/C8H8N2O.ClH/c9-7-5-3-1-2-4-6(5)10-8(7)11;/h1-4,7H,9H2,(H,10,11);1H
InChIKey
UWVYGNLXGHBQNO-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1N)cccc2.Cl
Isomeric Smiles
c1ccc2c(c1)C(C(=O)N2)N.Cl
Calculated Properties
JChem
Acid pKa
12.687211
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.728637
LogD (pH = 7.4)
-0.111373186
Log P
0.25000992
Molar Refractivity
42.5806
Polarizability
15.997058
Polar Surface Area
55.12
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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