Molecule

ID:15922

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Cl₂N₃
Molecular Mass
212.1201
Exact Mass
211.06430286
Charge
0
InChI
InChI=1S/C7H13N3.2ClH/c1-6-5-7(2)10(9-6)4-3-8;;/h5H,3-4,8H2,1-2H3;2*1H
InChIKey
IPLZURLMJRCZAO-UHFFFAOYSA-N
Canonic Smiles
NCCn1nc(cc1C)C.Cl.Cl
Isomeric Smiles
n1(nc(cc1C)C)CCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.067417
LogD (pH = 7.4)
-2.238574
Log P
-0.06494644
Molar Refractivity
52.6524
Polarizability
15.786351
Polar Surface Area
43.84
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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