Molecule

ID:55596

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅Cl₂N₃
Molecular Mass
224.1308
Exact Mass
223.06430286
Charge
0
InChI
InChI=1S/C8H13N3.2ClH/c1-6(2)8-10-4-3-7(5-9)11-8;;/h3-4,6H,5,9H2,1-2H3;2*1H
InChIKey
IQZQYJKFZOKBMM-UHFFFAOYSA-N
Canonic Smiles
NCc1ccnc(n1)C(C)C.Cl.Cl
Isomeric Smiles
c1(nc(ccn1)CN)C(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7150068
LogD (pH = 7.4)
-0.032026656
Log P
1.0315889
Molar Refractivity
44.4993
Polarizability
17.350668
Polar Surface Area
51.8
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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