Molecule

ID:77584

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₄O₂
Molecular Mass
274.31832
Exact Mass
274.14297584
Charge
0
InChI
InChI=1S/C14H18N4O2/c1-3-20-14(19)12-8-11(9-15)10(2)17-13(12)18-6-4-16-5-7-18/h8,16H,3-7H2,1-2H3
InChIKey
GJWLMJKBRLNVMS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(C#N)c(nc1N1CCNCC1)C
Isomeric Smiles
n1c(c(cc(c1C)C#N)C(=O)OCC)N1CCNCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.6501644
LogD (pH = 7.4)
-0.046969466
Log P
1.2698977
Molar Refractivity
76.4856
Polarizability
28.614195
Polar Surface Area
78.25
Rotatable Bonds
4
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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