Molecule

ID:72271

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇ClN₄
Molecular Mass
228.72178
Exact Mass
228.11417424
Charge
0
InChI
InChI=1S/C10H16N4.ClH/c1-9-3-5-12-10(13-9)14-7-2-4-11-6-8-14;/h3,5,11H,2,4,6-8H2,1H3;1H
InChIKey
LJZSRVVGXRQXFE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccnc(n1)N1CCNCCC1.Cl
Isomeric Smiles
c1(nc(ccn1)C)N1CCCNCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.6817355
LogD (pH = 7.4)
-1.5888174
Log P
0.49196687
Molar Refractivity
57.3092
Polarizability
21.445097
Polar Surface Area
41.05
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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