Molecule

ID:60678

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO₂
Molecular Mass
311.418
Exact Mass
311.18852905
Charge
0
InChI
InChI=1S/C20H25NO2/c1-13-10-14-16-15(11-13)19(2,3)12-20(8-6-4-5-7-9-20)21(16)18(23)17(14)22/h10-11H,4-9,12H2,1-3H3
InChIKey
PDZHFQIYMYHWBH-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2C(=O)C(=O)N3c2c(c1)C(C)(C)CC13CCCCCC1
Isomeric Smiles
N12C(=O)C(=O)c3c1c(C(CC12CCCCCC1)(C)C)cc(c3)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5681624
LogD (pH = 7.4)
4.5681624
Log P
4.5681624
Molar Refractivity
91.0712
Polarizability
35.083923
Polar Surface Area
37.38
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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