Molecule

ID:43909

General Information
Structure
Molecular Formula
C₂₁H₂₆N₂O₃
Molecular Mass
354.44274
Exact Mass
354.1943427
Charge
0
InChI
InChI=1S/C21H26N2O3/c1-25-21(24)19-7-9-20(10-8-19)26-16-15-22-11-13-23(14-12-22)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3
InChIKey
DMIVYUHBOFJZBA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCCN1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCN1CCN(Cc2ccccc2)CC1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.77779114
LogD (pH = 7.4)
2.5523164
Log P
3.4092886
Molar Refractivity
103.2283
Polarizability
40.23513
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
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Molecule Details
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References
Bioactivity
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