Molecule

ID:29608

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₃
Molecular Mass
315.4067
Exact Mass
315.18344367
Charge
0
InChI
InChI=1S/C19H25NO3/c1-3-21-12-13-23-18-10-7-9-17(14-18)20-15-16-8-5-6-11-19(16)22-4-2/h5-11,14,20H,3-4,12-13,15H2,1-2H3
InChIKey
GIIZHRBYSAZJEN-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)NCc1ccccc1OCC
Isomeric Smiles
c1(CNc2cc(OCCOCC)ccc2)c(OCC)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.5185592
LogD (pH = 7.4)
3.521754
Log P
3.521795
Molar Refractivity
94.3315
Polarizability
35.998516
Polar Surface Area
39.72
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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