Molecule

ID:79068

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClN₄
Molecular Mass
212.67932
Exact Mass
212.08287412
Charge
0
InChI
InChI=1S/C9H13ClN4/c1-6-7(2)9(11-5-14(3)4)13-12-8(6)10/h5H,1-4H3
InChIKey
WKUYOZUIYBNZED-UHFFFAOYSA-N
Canonic Smiles
CN(/C=N/c1nnc(c(c1C)C)Cl)C
Isomeric Smiles
N(=C\N(C)C)/c1c(c(c(nn1)Cl)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.3193452
LogD (pH = 7.4)
1.5690271
Log P
1.8276035
Molar Refractivity
62.8808
Polarizability
21.421068
Polar Surface Area
41.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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