Molecule

ID:27271

General Information
Structure
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c13-14-12(15)9-5-7-11(8-6-9)16-10-3-1-2-4-10/h5-8,10H,1-4,13H2,(H,14,15)
InChIKey
GSJAVLKWVIUIKC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)OC1CCCC1
Isomeric Smiles
C(=O)(c1ccc(OC2CCCC2)cc1)NN
Calculated Properties
JChem
Acid pKa
14.5006895
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7234945
LogD (pH = 7.4)
1.724429
Log P
1.724441
Molar Refractivity
62.4969
Polarizability
23.74133
Polar Surface Area
64.35
Rotatable Bonds
3
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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