Molecule

ID:60668

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₁NO₂
Molecular Mass
319.39694
Exact Mass
319.15722892
Charge
0
InChI
InChI=1S/C21H21NO2/c1-13-10-15-17-16(11-13)21(4,14-8-6-5-7-9-14)12-20(2,3)22(17)19(24)18(15)23/h5-11H,12H2,1-4H3
InChIKey
RIUIPEPWSMVYBO-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2C(=O)C(=O)N3c2c(c1)C(C)(CC3(C)C)c1ccccc1
Isomeric Smiles
N12C(=O)C(=O)c3c1c(C(CC2(C)C)(c1ccccc1)C)cc(c3)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.23151
LogD (pH = 7.4)
4.23151
Log P
4.23151
Molar Refractivity
105.2128
Polarizability
36.203808
Polar Surface Area
37.38
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
No Data Available
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Molecule Details
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References
Bioactivity
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