Molecule

ID:87972

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₂
Molecular Mass
210.61708
Exact Mass
210.01960515
Charge
0
InChI
InChI=1S/C9H7ClN2O2/c10-5-8-11-12-9(13)6-3-1-2-4-7(6)14-8/h1-4H,5H2,(H,12,13)
InChIKey
PZOVEWBYPULNDP-UHFFFAOYSA-N
Canonic Smiles
ClCC1=NNC(=O)c2c(O1)cccc2
Isomeric Smiles
O1C(=NNC(=O)c2c1cccc2)CCl
Calculated Properties
JChem
Acid pKa
10.762431
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4219892
LogD (pH = 7.4)
1.4218243
Log P
1.4219913
Molar Refractivity
51.4791
Polarizability
19.427921
Polar Surface Area
50.69
Rotatable Bonds
1
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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