Molecule

ID:34255

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃O
Molecular Mass
197.27736
Exact Mass
197.15281224
Charge
0
InChI
InChI=1S/C10H19N3O/c11-8-3-5-13(6-4-8)7-10(14)12-9-1-2-9/h8-9H,1-7,11H2,(H,12,14)
InChIKey
APGIQOUASPAAJO-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)CC(=O)NC1CC1
Isomeric Smiles
C(=O)(NC1CC1)CN1CCC(CC1)N
Calculated Properties
JChem
Acid pKa
15.781224
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.3875556
LogD (pH = 7.4)
-4.0067
Log P
-1.2383715
Molar Refractivity
55.3846
Polarizability
21.952879
Polar Surface Area
58.36
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
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Molecule Details
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References
Bioactivity
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