Molecule

ID:36541

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₂
Molecular Mass
210.61708
Exact Mass
210.01960515
Charge
0
InChI
InChI=1S/C9H7ClN2O2/c10-5-8-7(9(13)14-12-8)4-6-2-1-3-11-6/h1-4,11H,5H2/b7-4+
InChIKey
QXULIWKKJJSSJI-QPJJXVBHSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccc[nH]1
Isomeric Smiles
C\1(=C\c2[nH]ccc2)/C(=O)ON=C1CCl
Calculated Properties
JChem
Acid pKa
16.561668
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.199233
LogD (pH = 7.4)
2.1992357
Log P
2.1992357
Molar Refractivity
52.4043
Polarizability
19.73149
Polar Surface Area
54.45
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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