Molecule

ID:83883

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₂
Molecular Mass
224.64366
Exact Mass
224.03525522
Charge
0
InChI
InChI=1S/C10H9ClN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15)
InChIKey
HWFSVCPXNLEACG-UHFFFAOYSA-N
Canonic Smiles
ClCCn1c(=O)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(cccc2)c1=O)CCCl
Calculated Properties
JChem
Acid pKa
11.424407
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.285113
LogD (pH = 7.4)
2.2850745
Log P
2.2851136
Molar Refractivity
58.0161
Polarizability
21.057865
Polar Surface Area
49.41
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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