Molecule

ID:70949

General Information
Structure
MolImage
Molecular Formula
C₅H₇Cl₂N₃
Molecular Mass
180.03518
Exact Mass
179.0017026
Charge
0
InChI
InChI=1S/C5H6ClN3.ClH/c6-5-4(3-7)8-1-2-9-5;/h1-2H,3,7H2;1H
InChIKey
YYVVOYJKQZWKFS-UHFFFAOYSA-N
Canonic Smiles
NCc1nccnc1Cl.Cl
Isomeric Smiles
C(N)c1c(nccn1)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8410912
LogD (pH = 7.4)
-1.1480076
Log P
-0.43063685
Molar Refractivity
35.5615
Polarizability
13.880719
Polar Surface Area
51.8
Rotatable Bonds
1
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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