Molecule

ID:28719

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₃
Molecular Mass
315.4067
Exact Mass
315.18344367
Charge
0
InChI
InChI=1S/C19H25NO3/c1-14(2)22-17-9-7-8-16(12-17)20-13-15(3)23-19-11-6-5-10-18(19)21-4/h5-12,14-15,20H,13H2,1-4H3
InChIKey
RCXKEZUXLQAROD-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(CNc1cccc(c1)OC(C)C)C
Isomeric Smiles
c1(OC(CNc2cc(OC(C)C)ccc2)C)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.957482
LogD (pH = 7.4)
3.9645975
Log P
3.964689
Molar Refractivity
93.3166
Polarizability
35.987823
Polar Surface Area
39.72
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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