Molecule

ID:29527

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₃
Molecular Mass
343.45986
Exact Mass
343.21474379
Charge
0
InChI
InChI=1S/C21H29NO3/c1-4-17(3)25-21-10-6-18(7-11-21)16-22-19-8-12-20(13-9-19)24-15-14-23-5-2/h6-13,17,22H,4-5,14-16H2,1-3H3
InChIKey
GNNFVVWQMFYUFR-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1)NCc1ccc(cc1)OC(CC)C
Isomeric Smiles
N(c1ccc(cc1)OCCOCC)Cc1ccc(OC(CC)C)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.3566527
LogD (pH = 7.4)
4.4594107
Log P
4.460892
Molar Refractivity
103.2743
Polarizability
39.684948
Polar Surface Area
39.72
Rotatable Bonds
11
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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