Molecule

ID:117717

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N₃O₂
Molecular Mass
187.23948
Exact Mass
187.1320768
Charge
0
InChI
InChI=1S/C8H17N3O2/c1-13-8(12)11-6-4-10(3-2-9)5-7-11/h2-7,9H2,1H3
InChIKey
LUIQBQARTNREOU-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)C(=O)OC
Isomeric Smiles
N1(C(=O)OC)CCN(CC1)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.958823
LogD (pH = 7.4)
-2.854634
Log P
-0.9135093
Molar Refractivity
49.8828
Polarizability
19.712015
Polar Surface Area
58.8
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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