Molecule

ID:38280

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂ClN₅
Molecular Mass
283.80028
Exact Mass
283.15637341
Charge
0
InChI
InChI=1S/C13H21N5.ClH/c1-14-13-10-4-6-18(2)8-11(10)16-12(17-13)9-3-5-15-7-9;/h9,15H,3-8H2,1-2H3,(H,14,16,17);1H
InChIKey
BWRARCFWBXYPAX-UHFFFAOYSA-N
Canonic Smiles
CNc1nc(nc2c1CCN(C2)C)C1CNCC1.Cl
Isomeric Smiles
n1c(nc2c(c1NC)CCN(C2)C)C1CNCC1.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-5.524856
LogD (pH = 7.4)
-3.230413
Log P
0.6026192
Molar Refractivity
74.8607
Polarizability
27.683489
Polar Surface Area
53.08
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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