Molecule

ID:72262

General Information
Structure
MolImage
Molecular Formula
C₄H₉ClN₄
Molecular Mass
148.59406
Exact Mass
148.05157399
Charge
0
InChI
InChI=1S/C4H8N4.ClH/c5-1-2-8-4-6-3-7-8;/h3-4H,1-2,5H2;1H
InChIKey
ITTMYLROCFFGRE-UHFFFAOYSA-N
Canonic Smiles
NCCn1cncn1.Cl
Isomeric Smiles
n1cnn(c1)CCN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.0826216
LogD (pH = 7.4)
-3.25455
Log P
-1.0823976
Molar Refractivity
42.0853
Polarizability
11.40102
Polar Surface Area
56.73
Rotatable Bonds
2
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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