Molecule

ID:116754

General Information
Structure
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c1-2-15-10-4-3-5-13-11(10)14-8-6-12-7-9-14/h3-5,12H,2,6-9H2,1H3
InChIKey
ADRKNHZDRFYWEN-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccnc1N1CCNCC1
Isomeric Smiles
c1(N2CCNCC2)ncccc1OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8543341
LogD (pH = 7.4)
-0.24198577
Log P
1.121283
Molar Refractivity
60.6104
Polarizability
23.092424
Polar Surface Area
37.39
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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