Molecule

ID:130930

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O₂
Molecular Mass
286.36878
Exact Mass
286.16812795
Charge
0
InChI
InChI=1S/C17H22N2O2/c1-11(2)8-15(18)17(20)19-13-9-12-6-4-5-7-14(12)16(10-13)21-3/h4-7,9-11,15H,8,18H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKey
MVVPAYGKZXZGRC-HNNXBMFYSA-N
Canonic Smiles
COc1cc(NC(=O)[C@H](CC(C)C)N)cc2c1cccc2
Isomeric Smiles
CC(C)C[C@@H](C(=O)Nc1cc2ccccc2c(c1)OC)N
Calculated Properties
JChem
LogD (pH = 7.4)
2.02
LogD (pH = 5.5)
0.36
Log P
2.94
Rotatable Bonds
5
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
8.27
Polar Surface Area
64.35
Polarizability
32.76
Molar Refractivity
85.36
LOG S
-5.10
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
References
Bioactivity
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