Molecule

ID:36554

General Information
Structure
Molecular Formula
C₁₀H₆Cl₂N₂O₂
Molecular Mass
257.07284
Exact Mass
255.9806328
Charge
0
InChI
InChI=1S/C10H6Cl2N2O2/c11-5-8-7(10(15)16-14-8)4-6-2-1-3-13-9(6)12/h1-4H,5H2/b7-4+
InChIKey
IWYTXGHOCYLJGW-QPJJXVBHSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1cccnc1Cl
Isomeric Smiles
C\1(=C\c2c(nccc2)Cl)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8058875
LogD (pH = 7.4)
2.8058999
Log P
2.8058999
Molar Refractivity
61.4772
Polarizability
23.119238
Polar Surface Area
51.55
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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