Molecule

ID:74623

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₄O₂
Molecular Mass
288.3449
Exact Mass
288.1586259
Charge
0
InChI
InChI=1S/C15H20N4O2/c1-3-21-15(20)13-9-12(10-16)11(2)18-14(13)19-7-4-5-17-6-8-19/h9,17H,3-8H2,1-2H3
InChIKey
MTXUJJPFBVQKLD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(C#N)c(nc1N1CCNCCC1)C
Isomeric Smiles
n1c(c(cc(c1C)C#N)C(=O)OCC)N1CCNCCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.8439468
LogD (pH = 7.4)
-0.75355387
Log P
1.3298575
Molar Refractivity
81.351
Polarizability
30.45044
Polar Surface Area
78.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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