Molecule

ID:38136

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClN₃O
Molecular Mass
231.72242
Exact Mass
231.11383989
Charge
0
InChI
InChI=1S/C10H17N3O.ClH/c1-7(2)9-12-10(14-13-9)8-4-3-5-11-6-8;/h7-8,11H,3-6H2,1-2H3;1H
InChIKey
DINKPPXPUHBFIP-UHFFFAOYSA-N
Canonic Smiles
CC(c1noc(n1)C1CCCNC1)C.Cl
Isomeric Smiles
o1c(C2CNCCC2)nc(n1)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3734272
LogD (pH = 7.4)
-0.038970433
Log P
1.8614403
Molar Refractivity
55.2182
Polarizability
20.818302
Polar Surface Area
50.95
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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