Molecule

ID:45039

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂O
Molecular Mass
184.62286
Exact Mass
184.0403406
Charge
0
InChI
InChI=1S/C8H9ClN2O/c1-11(2)7-4-3-6(5-12)8(9)10-7/h3-5H,1-2H3
InChIKey
WVXSYLMEMVHULX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(nc1Cl)N(C)C
Isomeric Smiles
n1c(c(ccc1N(C)C)C=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9947457
LogD (pH = 7.4)
1.9947983
Log P
1.994799
Molar Refractivity
51.0933
Polarizability
18.126326
Polar Surface Area
33.2
Rotatable Bonds
2
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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