Molecule

ID:31041

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₂
Molecular Mass
224.2994
Exact Mass
224.15247789
Charge
0
InChI
InChI=1S/C12H20N2O2/c1-14(2)10(8-13)9-5-6-11(15-3)12(7-9)16-4/h5-7,10H,8,13H2,1-4H3
InChIKey
UEMUYGSFWRCGFY-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(c(c1)OC)OC)N(C)C
Isomeric Smiles
c1(cc(c(cc1)OC)OC)C(N(C)C)CN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.9603603
LogD (pH = 7.4)
-0.8433088
Log P
0.8620833
Molar Refractivity
65.1471
Polarizability
25.780762
Polar Surface Area
47.72
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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