Molecule

ID:70644

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₄
Molecular Mass
317.37952
Exact Mass
317.16270822
Charge
0
InChI
InChI=1S/C18H23NO4/c1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3
InChIKey
IZWMZVDEYOKQCG-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1CNCc1ccc(cc1OC)OC
Isomeric Smiles
N(Cc1c(cc(cc1)OC)OC)Cc1c(cc(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.34165004
LogD (pH = 7.4)
2.057304
Log P
2.6253827
Molar Refractivity
89.7714
Polarizability
35.194008
Polar Surface Area
48.95
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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