Molecule

ID:11423

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c1-6(13)12-8-5-10-9(4-7(8)11)14-2-3-15-10/h4-5H,2-3,11H2,1H3,(H,12,13)
InChIKey
LJXBBVIIWHUUSY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cc2OCCOc2cc1N
Isomeric Smiles
c1(cc2c(cc1N)OCCO2)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.145248
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.110047616
LogD (pH = 7.4)
-0.10490331
Log P
-0.104837246
Molar Refractivity
56.5788
Polarizability
20.700214
Polar Surface Area
73.58
Rotatable Bonds
1
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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