Molecule

ID:23385

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-15-7-3-6-13-11(14)9-4-2-5-10(12)8-9/h2,4-5,8H,3,6-7,12H2,1H3,(H,13,14)
InChIKey
OGPORDPFHSIVLI-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(=O)c1cccc(c1)N
Isomeric Smiles
C(=O)(c1cc(N)ccc1)NCCCOC
Calculated Properties
JChem
Acid pKa
15.148771
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.22945924
LogD (pH = 7.4)
0.23159318
Log P
0.23162045
Molar Refractivity
60.6424
Polarizability
22.363016
Polar Surface Area
64.35
Rotatable Bonds
5
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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