Molecule

ID:124378

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₃
Molecular Mass
238.62718
Exact Mass
238.01451977
Charge
0
InChI
InChI=1S/C10H7ClN2O3/c11-5-6-4-8(14)13-3-1-2-7(10(15)16)9(13)12-6/h1-4H,5H2,(H,15,16)
InChIKey
XLPQNGYHUQNQMQ-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)n2c(n1)c(ccc2)C(=O)O
Isomeric Smiles
c12n(c(=O)cc(n2)CCl)cccc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.8794103
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.9904834
LogD (pH = 7.4)
-2.5890431
Log P
0.63506395
Molar Refractivity
59.4172
Polarizability
21.386036
Polar Surface Area
69.97
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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