Molecule

ID:69080

General Information
Structure
Molecular Formula
C₇H₃Cl₃N₂
Molecular Mass
221.47112
Exact Mass
219.93618115
Charge
0
InChI
InChI=1S/C7H3Cl3N2/c1-3-4(2-11)6(9)12-7(10)5(3)8/h1H3
InChIKey
MEICKJSSGQUWTE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nc(c(c1C)Cl)Cl
Isomeric Smiles
C(#N)c1c(c(c(nc1Cl)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3775795
LogD (pH = 7.4)
3.3775795
Log P
3.3775795
Molar Refractivity
51.2009
Polarizability
18.981522
Polar Surface Area
36.68
Rotatable Bonds
0
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
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References
Bioactivity
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