Molecule

ID:124142

General Information
Structure
Molecular Formula
C₁₂H₁₆N₂O₃
Molecular Mass
236.26704
Exact Mass
236.11609238
Charge
0
InChI
InChI=1S/C12H16N2O3/c1-16-11-3-2-9(13)8-10(11)12(15)14-4-6-17-7-5-14/h2-3,8H,4-7,13H2,1H3
InChIKey
IDIREWVMCNLVMH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(=O)N1CCOCC1)N
Isomeric Smiles
c1(C(=O)N2CCOCC2)c(ccc(c1)N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.051974885
LogD (pH = 7.4)
0.0659593
Log P
0.06614057
Molar Refractivity
65.1679
Polarizability
24.180584
Polar Surface Area
64.79
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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