Molecule

ID:61863

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₂
Molecular Mass
234.63848
Exact Mass
234.01960515
Charge
0
InChI
InChI=1S/C11H7ClN2O2/c12-9-6-8(11(15)16)13-10(14-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)
InChIKey
OVZANHVNKPKFNF-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc(c1)C(=O)O)c1ccccc1
Isomeric Smiles
c1(nc(cc(n1)C(=O)O)Cl)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.4548488
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1564878
LogD (pH = 7.4)
-0.22373027
Log P
3.2148662
Molar Refractivity
70.8837
Polarizability
23.113333
Polar Surface Area
63.08
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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