Molecule
ID:27101
General Information
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-2-3-7-15-10-6-4-5-9(8-10)11(14)13-12/h4-6,8H,2-3,7,12H2,1H3,(H,13,14)
InChIKey
SOQGXZOQSDOMSR-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)C(=O)NN
Isomeric Smiles
C(=O)(c1cc(OCCCC)ccc1)NN
Calculated Properties
JChem
Acid pKa
14.04085
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6927882
LogD (pH = 7.4)
1.6936274
Log P
1.6936382
Molar Refractivity
59.9573
Polarizability
22.627674
Polar Surface Area
64.35
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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