Molecule

ID:123822

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClN₃
Molecular Mass
189.68574
Exact Mass
189.10327521
Charge
0
InChI
InChI=1S/C8H15N3.ClH/c1-5(2)11-7(4)8(9)6(3)10-11;/h5H,9H2,1-4H3;1H
InChIKey
OXZVOSSUUQHJJP-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1N)C)C(C)C.Cl
Isomeric Smiles
n1(nc(c(c1C)N)C)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.67554176
LogD (pH = 7.4)
0.6764824
Log P
0.6764944
Molar Refractivity
58.5704
Polarizability
17.238165
Polar Surface Area
43.84
Rotatable Bonds
1
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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