Molecule

ID:48236

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂
Molecular Mass
236.3101
Exact Mass
236.15247789
Charge
0
InChI
InChI=1S/C13H20N2O2/c1-4-15(5-2)12-8-7-10(9-11(12)14)13(16)17-6-3/h7-9H,4-6,14H2,1-3H3
InChIKey
FIRCWGQINZGGCY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N(CC)CC
Isomeric Smiles
c1(c(ccc(C(=O)OCC)c1)N(CC)CC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3223362
LogD (pH = 7.4)
2.3262148
Log P
2.3262646
Molar Refractivity
71.4581
Polarizability
26.232561
Polar Surface Area
55.56
Rotatable Bonds
6
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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