Molecule

ID:33204

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄O
Molecular Mass
218.25506
Exact Mass
218.11676109
Charge
0
InChI
InChI=1S/C11H14N4O/c1-8-2-3-9-10(13-8)14-11(16-9)15-6-4-12-5-7-15/h2-3,12H,4-7H2,1H3
InChIKey
IWNAWTSWIZNPRX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)nc(o2)N1CCNCC1
Isomeric Smiles
n1c(oc2c1nc(cc2)C)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0628486
LogD (pH = 7.4)
-0.4292318
Log P
0.8149332
Molar Refractivity
61.3878
Polarizability
23.332212
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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