Molecule

ID:62817

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇ClN₄
Molecular Mass
228.72178
Exact Mass
228.11417424
Charge
0
InChI
InChI=1S/C10H16N4.ClH/c1-11-10-9(13-5-6-14-10)8-3-2-4-12-7-8;/h5-6,8,12H,2-4,7H2,1H3,(H,11,14);1H
InChIKey
PUIWYXLAINQVEW-UHFFFAOYSA-N
Canonic Smiles
CNc1nccnc1C1CCCNC1.Cl
Isomeric Smiles
c1(c(nccn1)NC)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1868966
LogD (pH = 7.4)
-2.1487286
Log P
-0.004007864
Molar Refractivity
57.1206
Polarizability
21.442463
Polar Surface Area
49.84
Rotatable Bonds
2
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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