Molecule

ID:121265

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₂
Molecular Mass
234.29422
Exact Mass
234.13682783
Charge
0
InChI
InChI=1S/C13H18N2O2/c1-17-12-6-5-10(9-11(12)14)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,14H2,1H3
InChIKey
SNBNIWWZWNENGB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C(=O)N1CCCCC1
Isomeric Smiles
C(=O)(N1CCCCC1)c1cc(c(cc1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1324569
LogD (pH = 7.4)
1.134975
Log P
1.1350071
Molar Refractivity
68.2354
Polarizability
25.300201
Polar Surface Area
55.56
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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