Molecule

ID:18043

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N₃O
Molecular Mass
199.29324
Exact Mass
199.16846231
Charge
0
InChI
InChI=1S/C10H21N3O/c1-3-12(4-2-11-1)5-6-13-7-9-14-10-8-13/h11H,1-10H2
InChIKey
SAJZEJMFAWZNCQ-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CCN1CCOCC1
Isomeric Smiles
N1(CCN2CCOCC2)CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-5.344483
LogD (pH = 7.4)
-2.6301875
Log P
-0.54561484
Molar Refractivity
57.8371
Polarizability
22.962423
Polar Surface Area
27.74
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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