Molecule

ID:89226

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₃N₂
Molecular Mass
239.52946
Exact Mass
237.98313134
Charge
0
InChI
InChI=1S/C8H8Cl2N2.ClH/c9-6-2-1-3-7(10)5(6)4-8(11)12;/h1-3H,4H2,(H3,11,12);1H
InChIKey
YNPZJFKKDYCULJ-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Cc1c(Cl)cccc1Cl.Cl
Isomeric Smiles
Clc1cccc(c1CC(=N)N)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.33345425
LogD (pH = 7.4)
-0.3306778
Log P
2.081969
Molar Refractivity
61.3915
Polarizability
19.645105
Polar Surface Area
49.87
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
No Data Available
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Molecule Details
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References
Bioactivity
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