Molecule

ID:17845

General Information
Structure
Molecular Formula
C₄H₉Cl₂N₃
Molecular Mass
170.04036
Exact Mass
169.01735266
Charge
0
InChI
InChI=1S/C4H7N3.2ClH/c1-7-3-4(5)2-6-7;;/h2-3H,5H2,1H3;2*1H
InChIKey
HEFHQCFTJGKPMD-UHFFFAOYSA-N
Canonic Smiles
Nc1cnn(c1)C.Cl.Cl
Isomeric Smiles
c1(cn(nc1)C)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.42786187
LogD (pH = 7.4)
-0.4278206
Log P
-0.4278201
Molar Refractivity
39.6618
Polarizability
10.042847
Polar Surface Area
43.84
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
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Molecule Details
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References
Bioactivity
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