Molecule

ID:60662

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c1-5-10-6-11-9(2)8-16(3,4)17-13(11)12(7-10)14(18)15(17)19/h6-7,9H,5,8H2,1-4H3
InChIKey
WSDFNKPPSKGMIP-UHFFFAOYSA-N
Canonic Smiles
CCc1cc2C(C)CC(N3c2c(c1)C(=O)C3=O)(C)C
Isomeric Smiles
N12C(=O)C(=O)c3c1c(C(CC2(C)C)C)cc(c3)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2422276
LogD (pH = 7.4)
3.2422276
Log P
3.2422276
Molar Refractivity
74.7493
Polarizability
28.444569
Polar Surface Area
37.38
Rotatable Bonds
1
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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