Molecule

ID:87435

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)9-6-7-10(12-14)11(8-9)15-3/h6-8H,4-5H2,1-3H3
InChIKey
YFLMEXHABQOPKW-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(c(c1)OC)N=O)CC
Isomeric Smiles
N(=O)c1ccc(cc1OC)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7142262
LogD (pH = 7.4)
2.7149334
Log P
2.7149425
Molar Refractivity
62.0204
Polarizability
22.360102
Polar Surface Area
41.9
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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