Molecule

ID:28757

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO₃
Molecular Mass
343.45986
Exact Mass
343.21474379
Charge
0
InChI
InChI=1S/C21H29NO3/c1-3-4-7-13-25-21-12-6-5-9-18(21)17-22-19-10-8-11-20(16-19)24-15-14-23-2/h5-6,8-12,16,22H,3-4,7,13-15,17H2,1-2H3
InChIKey
UMGJINAZKUOSJW-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1CNc1cccc(c1)OCCOC
Isomeric Smiles
c1(CNc2cc(OCCOC)ccc2)c(OCCCCC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.573411
LogD (pH = 7.4)
4.576606
Log P
4.576647
Molar Refractivity
103.3089
Polarizability
39.686543
Polar Surface Area
39.72
Rotatable Bonds
12
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
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References
Bioactivity
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