Molecule

ID:27203

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-3-9-4-6-10(7-5-9)15-8(2)11(14)13-12/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKey
PWOLWSDGPSFVOT-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC(C(=O)NN)C
Isomeric Smiles
C(=O)(C(Oc1ccc(cc1)CC)C)NN
Calculated Properties
JChem
Acid pKa
12.463148
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7154963
LogD (pH = 7.4)
1.7168728
Log P
1.7168938
Molar Refractivity
59.0482
Polarizability
22.768164
Polar Surface Area
64.35
Rotatable Bonds
4
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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