Molecule

ID:60661

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₂
Molecular Mass
255.31168
Exact Mass
255.12592879
Charge
0
InChI
InChI=1S/C16H17NO2/c1-8-6-11-9(2)7-16(4,5)17-13(11)12(10(8)3)14(18)15(17)19/h6-7H,1-5H3
InChIKey
PFPZBDGESKUBTP-UHFFFAOYSA-N
Canonic Smiles
CC1=CC(C)(C)N2c3c1cc(C)c(c3C(=O)C2=O)C
Isomeric Smiles
N12C(=O)C(=O)c3c1c(C(=CC2(C)C)C)cc(c3C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2001417
LogD (pH = 7.4)
3.2001417
Log P
3.2001417
Molar Refractivity
75.8855
Polarizability
28.202219
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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