Molecule

ID:68111

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O₂
Molecular Mass
174.58498
Exact Mass
174.01960515
Charge
0
InChI
InChI=1S/C6H7ClN2O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3
InChIKey
PBEKEFWBLFBSGQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)nc(n1)Cl
Isomeric Smiles
c1(nc(cc(n1)OC)OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8318571
LogD (pH = 7.4)
1.8318583
Log P
1.8318583
Molar Refractivity
41.7743
Polarizability
15.700514
Polar Surface Area
44.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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