Molecule

ID:120564

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂N₂O
Molecular Mass
279.12142
Exact Mass
278.00136825
Charge
0
InChI
InChI=1S/C13H8Cl2N2O/c14-7-1-3-9(10(15)5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
InChIKey
NWZLOHPLOVAJOM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1nc2c(o1)ccc(c2)N
Isomeric Smiles
c1(nc2c(o1)ccc(c2)N)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7232964
LogD (pH = 7.4)
3.7237928
Log P
3.723799
Molar Refractivity
82.1347
Polarizability
28.98668
Polar Surface Area
52.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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