Molecule

ID:4808

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O₂
Molecular Mass
286.36878
Exact Mass
286.16812795
Charge
0
InChI
InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1
InChIKey
BVUSHGJZBZMDML-ZDUSSCGKSA-N
Canonic Smiles
O=C([C@H]1CC(=O)N(C1)C1CCCCC1)Nc1ccccc1
Isomeric Smiles
C1CC(CCC1)N1C(=O)C[C@@H](C1)C(=O)Nc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.26
LogD (pH = 5.5)
2.26
Log P
2.26
Rotatable Bonds
3
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
13.96
Polar Surface Area
49.41
Polarizability
32.03
Molar Refractivity
82.53
LOG S
-3.49
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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