Molecule
ID:40623
General Information
Molecular Formula
C₈H₉ClN₂O
Molecular Mass
184.62286
Exact Mass
184.0403406
Charge
0
InChI
InChI=1S/C8H9ClN2O/c9-7-3-1-6(2-4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKey
KJZQYKWORLVIIF-UHFFFAOYSA-N
Canonic Smiles
NC(=O)NCc1ccc(cc1)Cl
Isomeric Smiles
C(=O)(NCc1ccc(Cl)cc1)N
Calculated Properties
JChem
Acid pKa
14.029976
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.18836
LogD (pH = 7.4)
1.18836
Log P
1.18836
Molar Refractivity
47.4567
Polarizability
18.24366
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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