Molecule

ID:44593

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₄
Molecular Mass
226.7059
Exact Mass
226.09852418
Charge
0
InChI
InChI=1S/C10H15ClN4/c1-8-12-9(11)7-10(13-8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3
InChIKey
ATBBOBNXQPZNLG-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1cc(Cl)nc(n1)C
Isomeric Smiles
c1(nc(nc(c1)Cl)C)N1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.29469284
LogD (pH = 7.4)
1.8273195
Log P
2.0684316
Molar Refractivity
64.005
Polarizability
23.39587
Polar Surface Area
32.26
Rotatable Bonds
1
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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