Molecule

ID:121266

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-18-13-7-6-11(10-12(13)15)14(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,15H2,1H3
InChIKey
VSSLCNKONSPRIU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C(=O)N1CCCCCC1
Isomeric Smiles
C(=O)(N1CCCCCC1)c1cc(c(cc1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5768971
LogD (pH = 7.4)
1.579542
Log P
1.5795758
Molar Refractivity
72.8364
Polarizability
27.139347
Polar Surface Area
55.56
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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