Molecule

ID:43367

General Information
Structure
Molecular Formula
C₁₀H₉ClN₂O₂
Molecular Mass
224.64366
Exact Mass
224.03525522
Charge
0
InChI
InChI=1S/C10H9ClN2O2/c11-8-2-1-7(5-12-8)6-13-9(14)3-4-10(13)15/h1-2,5H,3-4,6H2
InChIKey
WYTBOWVCVWXTBM-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(=O)N1Cc1ccc(nc1)Cl
Isomeric Smiles
N1(C(=O)CCC1=O)Cc1cnc(Cl)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.56121844
LogD (pH = 7.4)
0.56122696
Log P
0.561227
Molar Refractivity
55.4999
Polarizability
21.195915
Polar Surface Area
50.27
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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