Molecule

ID:11654

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₃
Molecular Mass
226.61648
Exact Mass
226.01451977
Charge
0
InChI
InChI=1S/C9H7ClN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)
InChIKey
FTDBLLSABPDLMJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cnn(c1)Cc1ccc(o1)C(=O)O
Isomeric Smiles
c1(cnn(c1)Cc1oc(cc1)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.1421967
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9667528
LogD (pH = 7.4)
-2.0880854
Log P
1.3674543
Molar Refractivity
63.9034
Polarizability
19.78167
Polar Surface Area
68.26
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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