Molecule

ID:51620

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O
Molecular Mass
282.38008
Exact Mass
282.17321333
Charge
0
InChI
InChI=1S/C18H22N2O/c1-14-10-17(18(21-2)19-11-14)16-8-9-20(13-16)12-15-6-4-3-5-7-15/h3-7,10-11,16H,8-9,12-13H2,1-2H3
InChIKey
AHBXRADRQXAJOS-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(cc1C1CCN(C1)Cc1ccccc1)C
Isomeric Smiles
c1(cnc(c(c1)C1CN(CC1)Cc1ccccc1)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.30300507
LogD (pH = 7.4)
1.8469245
Log P
3.551752
Molar Refractivity
86.3693
Polarizability
33.260033
Polar Surface Area
25.36
Rotatable Bonds
4
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
References
Bioactivity
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