Molecule

ID:15868

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂O
Molecular Mass
198.64944
Exact Mass
198.05599066
Charge
0
InChI
InChI=1S/C9H10N2O.ClH/c1-11-7-5-3-2-4-6(7)8(10)9(11)12;/h2-5,8H,10H2,1H3;1H
InChIKey
QGSSMUMEQPEIBQ-UHFFFAOYSA-N
Canonic Smiles
O=C1C(N)c2c(N1C)cccc2.Cl
Isomeric Smiles
c1ccc2c(c1)C(C(=O)N2C)N.Cl
Calculated Properties
JChem
Acid pKa
14.418213
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8511131
LogD (pH = 7.4)
-0.23892342
Log P
0.114075996
Molar Refractivity
45.6965
Polarizability
17.83779
Polar Surface Area
46.33
Rotatable Bonds
0
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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