Molecule

ID:123484

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂O
Molecular Mass
198.64944
Exact Mass
198.05599066
Charge
0
InChI
InChI=1S/C9H11ClN2O/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,11H2,1-2H3
InChIKey
HYYZVBNRQCDKET-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)C(=O)N(C)C
Isomeric Smiles
c1(C(=O)N(C)C)c(cc(cc1)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0456349
LogD (pH = 7.4)
1.0463479
Log P
1.0463569
Molar Refractivity
54.435
Polarizability
19.89232
Polar Surface Area
46.33
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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