Molecule

ID:124981

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₉NO₅
Molecular Mass
387.46936
Exact Mass
387.20457303
Charge
0
InChI
InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
InChIKey
LORDFXWUHHSAQU-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1)(N(C)C)COC(=O)c1cc(OC)c(c(c1)OC)OC
Isomeric Smiles
c1(c(cc(C(=O)OCC(N(C)C)(c2ccccc2)CC)cc1OC)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.0457101
LogD (pH = 7.4)
2.733307
Log P
4.1096926
Molar Refractivity
108.937
Polarizability
42.628212
Polar Surface Area
57.23
Rotatable Bonds
10
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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