Molecule

ID:68245

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₂
Molecular Mass
224.64366
Exact Mass
224.03525522
Charge
0
InChI
InChI=1S/C10H9ClN2O2/c1-2-15-10(14)8-5-7-6(12-8)3-4-9(11)13-7/h3-5,12H,2H2,1H3
InChIKey
LMNLVPXIXMUABR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c([nH]1)ccc(n2)Cl
Isomeric Smiles
c12c(ccc(n1)Cl)[nH]c(c2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
9.213056
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.344609
LogD (pH = 7.4)
2.3388827
Log P
2.3446937
Molar Refractivity
57.1331
Polarizability
22.849537
Polar Surface Area
54.98
Rotatable Bonds
3
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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