Molecule

ID:50793

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₆N₂O₃
Molecular Mass
354.44274
Exact Mass
354.1943427
Charge
0
InChI
InChI=1S/C21H26N2O3/c1-25-21(24)19-8-5-9-20(16-19)26-15-14-22-10-12-23(13-11-22)17-18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3
InChIKey
BYVGJIBTTHSUEB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)OCCN1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(=O)(c1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.7791069
LogD (pH = 7.4)
2.5536208
Log P
3.4092886
Molar Refractivity
103.2283
Polarizability
40.235676
Polar Surface Area
42.01
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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