Molecule

ID:50053

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8,12H2,(H,13,14)
InChIKey
GJVPHNXNTVLBJO-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1NCC1CCOCC1
Isomeric Smiles
c1(NCC2CCOCC2)ncccc1N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.8755099
LogD (pH = 7.4)
0.21107075
Log P
0.41566995
Molar Refractivity
62.4023
Polarizability
22.72318
Polar Surface Area
60.17
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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