Molecule

ID:101760

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-4-13(5-2)10-7-6-9(8-12-10)11(14)15-3/h6-8H,4-5H2,1-3H3
InChIKey
MYJCIGZNMMQDRA-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cn1)C(=O)OC)CC
Isomeric Smiles
c1(C(=O)OC)cnc(N(CC)CC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.132501
LogD (pH = 7.4)
2.1746018
Log P
2.1751676
Molar Refractivity
60.1657
Polarizability
22.360239
Polar Surface Area
42.43
Rotatable Bonds
5
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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