Molecule

ID:120861

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-16-11-5-4-9(13)8-10(11)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7,13H2,1H3
InChIKey
LSAWYAZFUATFDW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(=O)N1CCCC1)N
Isomeric Smiles
c1(C(=O)N2CCCC2)c(ccc(c1)N)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6749183
LogD (pH = 7.4)
0.69023955
Log P
0.6904385
Molar Refractivity
63.6344
Polarizability
23.462675
Polar Surface Area
55.56
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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