Molecule

ID:28287

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂O
Molecular Mass
184.62286
Exact Mass
184.0403406
Charge
0
InChI
InChI=1S/C8H9ClN2O/c1-11(2)8(12)6-4-3-5-10-7(6)9/h3-5H,1-2H3
InChIKey
QNZRJGJNLOMEGJ-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1cccnc1Cl)C
Isomeric Smiles
c1(C(=O)N(C)C)c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8777864
LogD (pH = 7.4)
0.87778765
Log P
0.87778765
Molar Refractivity
48.639
Polarizability
17.9361
Polar Surface Area
33.2
Rotatable Bonds
1
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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