Molecule

ID:53269

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₇N₃O
Molecular Mass
337.45858
Exact Mass
337.2154125
Charge
0
InChI
InChI=1S/C21H27N3O/c1-3-23(4-2)15-10-16-25-21-19-13-8-9-14-20(19)24(22-21)17-18-11-6-5-7-12-18/h5-9,11-14H,3-4,10,15-17H2,1-2H3
InChIKey
UZNJSMFIGONURK-UHFFFAOYSA-N
Canonic Smiles
CCN(CCCOc1nn(c2c1cccc2)Cc1ccccc1)CC
Isomeric Smiles
c1ccc2c(c1)c(nn2Cc1ccccc1)OCCCN(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9354916
LogD (pH = 7.4)
2.000518
Log P
4.373463
Molar Refractivity
115.0601
Polarizability
41.169983
Polar Surface Area
30.29
Rotatable Bonds
9
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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