Molecule

ID:40749

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂N₃
Molecular Mass
192.04588
Exact Mass
191.0017026
Charge
0
InChI
InChI=1S/C6H7Cl2N3/c1-11(2)6-9-4(7)3-5(8)10-6/h3H,1-2H3
InChIKey
PWJNRLSPEYCEMV-UHFFFAOYSA-N
Canonic Smiles
CN(c1nc(Cl)cc(n1)Cl)C
Isomeric Smiles
c1(nc(cc(n1)Cl)Cl)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4850051
LogD (pH = 7.4)
2.485009
Log P
2.485009
Molar Refractivity
48.8291
Polarizability
17.342098
Polar Surface Area
29.02
Rotatable Bonds
1
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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