Molecule

ID:33202

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄O
Molecular Mass
218.25506
Exact Mass
218.11676109
Charge
0
InChI
InChI=1S/C11H14N4O/c1-3-9-10(13-5-1)16-11(14-9)15-7-2-4-12-6-8-15/h1,3,5,12H,2,4,6-8H2
InChIKey
JQIDNOGDORBKGQ-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)c1oc2c(n1)cccn2
Isomeric Smiles
c1(oc2c(n1)cccn2)N1CCCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3764932
LogD (pH = 7.4)
-1.230109
Log P
0.7859803
Molar Refractivity
60.0415
Polarizability
23.409706
Polar Surface Area
54.19
Rotatable Bonds
1
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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