Molecule

ID:77024

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-3-7-14-10-6-4-5-9(13)11(10)16-8(2)12(14)15/h4-6,8H,3,7,13H2,1-2H3
InChIKey
CQLVRIYADYTARJ-UHFFFAOYSA-N
Canonic Smiles
CC1Oc2c(N(C1=O)CCC)cccc2N
Isomeric Smiles
N1(c2cccc(c2OC(C1=O)C)N)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2261816
LogD (pH = 7.4)
1.2376997
Log P
1.2378486
Molar Refractivity
62.4079
Polarizability
23.665531
Polar Surface Area
55.56
Rotatable Bonds
2
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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