Molecule

ID:81978

General Information
Structure
Molecular Formula
C₆H₄Cl₂N₄O₂
Molecular Mass
235.02756
Exact Mass
233.97113075
Charge
0
InChI
InChI=1S/C6H4Cl2N4O2/c7-1-3-9-5(11-13-3)6-10-4(2-8)14-12-6/h1-2H2
InChIKey
KDOAVZCXUFQSTD-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1noc(n1)CCl
Isomeric Smiles
n1c(c2noc(n2)CCl)nc(o1)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.243112
LogD (pH = 7.4)
2.243112
Log P
2.243112
Molar Refractivity
71.364
Polarizability
17.983397
Polar Surface Area
77.84
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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