Molecule

ID:38148

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClN₃O
Molecular Mass
205.68514
Exact Mass
205.09818983
Charge
0
InChI
InChI=1S/C8H15N3O.ClH/c1-5(2)4-7-10-8(6(3)9)12-11-7;/h5-6H,4,9H2,1-3H3;1H
InChIKey
WEUCDSZRZWCHOX-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1noc(n1)C(N)C)C.Cl
Isomeric Smiles
o1c(C(N)C)nc(n1)CC(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3340507
LogD (pH = 7.4)
1.2281817
Log P
1.5057822
Molar Refractivity
47.3693
Polarizability
17.942873
Polar Surface Area
64.94
Rotatable Bonds
3
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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