Molecule
ID:124870
General Information
Molecular Formula
C₁₀H₁₅ClN₄
Molecular Mass
226.7059
Exact Mass
226.09852418
Charge
0
InChI
InChI=1S/C10H15ClN4/c1-14-5-2-6-15(8-7-14)10-4-3-9(11)12-13-10/h3-4H,2,5-8H2,1H3
InChIKey
LRAQITPFWFDXRM-UHFFFAOYSA-N
Canonic Smiles
CN1CCCN(CC1)c1ccc(nn1)Cl
Isomeric Smiles
n1c(N2CCN(CCC2)C)ccc(n1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.5395944
LogD (pH = 7.4)
0.22987245
Log P
1.209606
Molar Refractivity
65.2881
Polarizability
23.481041
Polar Surface Area
32.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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