Molecule

ID:116661

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₄O₂
Molecular Mass
274.31832
Exact Mass
274.14297584
Charge
0
InChI
InChI=1S/C14H18N4O2/c1-17-12(16)11(13(19)18(2)14(17)20)10(8-15)9-6-4-3-5-7-9/h3-7,10H,8,15-16H2,1-2H3
InChIKey
QJGADYDDPBQDRT-UHFFFAOYSA-N
Canonic Smiles
NCC(c1c(N)n(C)c(=O)n(c1=O)C)c1ccccc1
Isomeric Smiles
c1(c(n(c(=O)n(c1=O)C)C)N)C(c1ccccc1)CN
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1141937
LogD (pH = 7.4)
-2.2761922
Log P
-0.11380267
Molar Refractivity
85.8096
Polarizability
29.175228
Polar Surface Area
92.66
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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