Molecule

ID:82771

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂O₂
Molecular Mass
170.55322
Exact Mass
169.98830503
Charge
0
InChI
InChI=1S/C6H3ClN2O2/c7-4-1-2-6-5(3-4)8-11-9(6)10/h1-3H
InChIKey
DHPQXIQZZCNOLI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)no[n+]2[O-]
Isomeric Smiles
[n+]1(c2c(no1)cc(cc2)Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7678
LogD (pH = 7.4)
0.7678
Log P
0.7678
Molar Refractivity
60.7421
Polarizability
15.401078
Polar Surface Area
52.97
Rotatable Bonds
0
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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