Molecule

ID:61741

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂O₃
Molecular Mass
200.5792
Exact Mass
199.99886971
Charge
0
InChI
InChI=1S/C7H5ClN2O3/c8-4-1-3(6(9)11)2-10-5(4)7(12)13/h1-2H,(H2,9,11)(H,12,13)
InChIKey
FCQBJEGVSJXPRI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cnc(c(c1)Cl)C(=O)O
Isomeric Smiles
c1(ncc(C(=O)N)cc1Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2527285
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.0600111
LogD (pH = 7.4)
-3.198262
Log P
0.25369158
Molar Refractivity
44.6685
Polarizability
16.744669
Polar Surface Area
93.28
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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