Molecule

ID:28710

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₃
Molecular Mass
315.4067
Exact Mass
315.18344367
Charge
0
InChI
InChI=1S/C19H25NO3/c1-15(2)23-19-11-7-5-9-17(19)20-14-16-8-4-6-10-18(16)22-13-12-21-3/h4-11,15,20H,12-14H2,1-3H3
InChIKey
GRILWOMMXLUVDE-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccccc1CNc1ccccc1OC(C)C
Isomeric Smiles
N(c1c(OC(C)C)cccc1)Cc1c(OCCOC)cccc1
Calculated Properties
JChem
Acid pKa
18.79456
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.5629854
LogD (pH = 7.4)
3.5813231
Log P
3.581562
Molar Refractivity
94.0017
Polarizability
35.999344
Polar Surface Area
39.72
Rotatable Bonds
9
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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