Molecule

ID:117718

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉N₃O₂
Molecular Mass
201.26606
Exact Mass
201.14772686
Charge
0
InChI
InChI=1S/C9H19N3O2/c1-2-14-9(13)12-7-5-11(4-3-10)6-8-12/h2-8,10H2,1H3
InChIKey
NXQAWOGFJQNATN-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)C(=O)OCC
Isomeric Smiles
N1(C(=O)OCC)CCN(CC1)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.602015
LogD (pH = 7.4)
-2.497826
Log P
-0.55670136
Molar Refractivity
54.6314
Polarizability
21.546654
Polar Surface Area
58.8
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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