Molecule

ID:117721

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃O
Molecular Mass
197.27736
Exact Mass
197.15281224
Charge
0
InChI
InChI=1S/C10H19N3O/c11-3-4-12-5-7-13(8-6-12)10(14)9-1-2-9/h9H,1-8,11H2
InChIKey
ARKXJNJRBVQECW-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)C(=O)C1CC1
Isomeric Smiles
C(=O)(N1CCN(CC1)CCN)C1CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.805782
LogD (pH = 7.4)
-2.6943762
Log P
-0.7530042
Molar Refractivity
55.6584
Polarizability
21.952879
Polar Surface Area
49.57
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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