Molecule

ID:48364

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₄O
Molecular Mass
242.7053
Exact Mass
242.0934388
Charge
0
InChI
InChI=1S/C10H15ClN4O/c11-9-7-10(13-8-12-9)15-3-1-14(2-4-15)5-6-16/h7-8,16H,1-6H2
InChIKey
GWLPIJNIFCQNLA-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)c1ncnc(c1)Cl
Isomeric Smiles
c1(N2CCN(CC2)CCO)cc(ncn1)Cl
Calculated Properties
JChem
Acid pKa
15.593097
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.84579784
LogD (pH = 7.4)
0.5660044
Log P
0.7334763
Molar Refractivity
65.6729
Polarizability
24.125584
Polar Surface Area
52.49
Rotatable Bonds
3
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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