Molecule

ID:101217

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c1-12-9-10-3-2-4-11(13-10)14-5-7-15-8-6-14/h2-4,12H,5-9H2,1H3
InChIKey
CULRQHZBTPUFEB-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(n1)N1CCOCC1
Isomeric Smiles
c1(nc(CNC)ccc1)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9159089
LogD (pH = 7.4)
-0.23625854
Log P
0.87939507
Molar Refractivity
60.4435
Polarizability
23.102667
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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