Molecule

ID:55655

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇Cl₂N₃
Molecular Mass
226.14668
Exact Mass
225.07995292
Charge
0
InChI
InChI=1S/C8H15N3.2ClH/c1-2-3-5-11-6-4-10-8(11)7-9;;/h4,6H,2-3,5,7,9H2,1H3;2*1H
InChIKey
BQDCCHLBKGOTCG-UHFFFAOYSA-N
Canonic Smiles
CCCCn1ccnc1CN.Cl.Cl
Isomeric Smiles
c1(n(ccn1)CCCC)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8348027
LogD (pH = 7.4)
-0.18948303
Log P
0.60128576
Molar Refractivity
45.5835
Polarizability
17.79339
Polar Surface Area
43.84
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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