Molecule

ID:124960

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃ClN₄
Molecular Mass
248.71142
Exact Mass
248.08287412
Charge
0
InChI
InChI=1S/C12H13ClN4/c1-17(12-6-5-11(13)15-16-12)9-7-10-4-2-3-8-14-10/h2-6,8H,7,9H2,1H3
InChIKey
SUCCWESAFZWLPX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)N(CCc1ccccn1)C
Isomeric Smiles
n1nc(ccc1N(CCc1ncccc1)C)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8813944
LogD (pH = 7.4)
2.123541
Log P
2.127812
Molar Refractivity
71.0055
Polarizability
25.770695
Polar Surface Area
41.91
Rotatable Bonds
4
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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