Molecule

ID:60709

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₂
Molecular Mass
234.63848
Exact Mass
234.01960515
Charge
0
InChI
InChI=1S/C11H7ClN2O2/c12-10-5-6-11(14-13-10)16-9-3-1-8(7-15)2-4-9/h1-7H
InChIKey
TVXUZNFXRJTIJQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Oc1ccc(nn1)Cl
Isomeric Smiles
n1nc(Cl)ccc1Oc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4072723
LogD (pH = 7.4)
2.4072723
Log P
2.4072723
Molar Refractivity
62.7688
Polarizability
22.752432
Polar Surface Area
52.08
Rotatable Bonds
3
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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