Molecule

ID:24934

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₄
Molecular Mass
331.4061
Exact Mass
331.17835829
Charge
0
InChI
InChI=1S/C19H25NO4/c1-5-23-16-10-8-14(12-18(16)24-6-2)19(20)13-7-9-15(21-3)17(11-13)22-4/h7-12,19H,5-6,20H2,1-4H3
InChIKey
KYLPIAGORUTBGX-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1OCC)C(c1ccc(c(c1)OC)OC)N
Isomeric Smiles
c1(C(c2cc(c(cc2)OCC)OCC)N)cc(c(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.0887272
LogD (pH = 7.4)
1.4670894
Log P
2.9661853
Molar Refractivity
94.1642
Polarizability
37.03615
Polar Surface Area
62.94
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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