Molecule

ID:55656

General Information
Structure
Molecular Formula
C₉H₁₉Cl₂N₃
Molecular Mass
240.17326
Exact Mass
239.09560298
Charge
0
InChI
InChI=1S/C9H17N3.2ClH/c1-3-4-6-12-7-5-11-9(12)8-10-2;;/h5,7,10H,3-4,6,8H2,1-2H3;2*1H
InChIKey
RQBRMAXXMQIJRE-UHFFFAOYSA-N
Canonic Smiles
CCCCn1ccnc1CNC.Cl.Cl
Isomeric Smiles
c1(n(ccn1)CCCC)CNC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2630411
LogD (pH = 7.4)
0.38383967
Log P
1.0338662
Molar Refractivity
50.3581
Polarizability
19.63742
Polar Surface Area
29.85
Rotatable Bonds
5
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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