Molecule

ID:77028

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-3-13-9-6-4-5-8(12)10(9)15-7(2)11(13)14/h4-7H,3,12H2,1-2H3
InChIKey
PDYNJNPQTIWICG-UHFFFAOYSA-N
Canonic Smiles
CCN1C(=O)C(C)Oc2c1cccc2N
Isomeric Smiles
N1(c2cccc(c2OC(C1=O)C)N)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7042846
LogD (pH = 7.4)
0.71518546
Log P
0.71532625
Molar Refractivity
57.8839
Polarizability
21.827658
Polar Surface Area
55.56
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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