Molecule

ID:67067

General Information
Structure
MolImage
Molecular Formula
C₄H₄ClN₃
Molecular Mass
129.54766
Exact Mass
129.00937482
Charge
0
InChI
InChI=1S/C4H4ClN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
InChIKey
LQNBBHICRUONJT-UHFFFAOYSA-N
Canonic Smiles
Clc1cncnc1N
Isomeric Smiles
c1nc(c(cn1)Cl)N
Calculated Properties
JChem
Acid pKa
19.009398
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3671991
LogD (pH = 7.4)
0.4186122
Log P
0.4193117
Molar Refractivity
32.541
Polarizability
11.650593
Polar Surface Area
51.8
Rotatable Bonds
0
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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