Molecule

ID:29582

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₃
Molecular Mass
363.4495
Exact Mass
363.18344367
Charge
0
InChI
InChI=1S/C23H25NO3/c1-25-15-16-26-22-13-7-5-11-20(22)17-24-21-12-6-8-14-23(21)27-18-19-9-3-2-4-10-19/h2-14,24H,15-18H2,1H3
InChIKey
YKGJHWAHVLASDR-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccccc1CNc1ccccc1OCc1ccccc1
Isomeric Smiles
N(Cc1c(OCCOC)cccc1)c1c(OCc2ccccc2)cccc1
Calculated Properties
JChem
Acid pKa
18.77843
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.5145087
LogD (pH = 7.4)
4.5324187
Log P
4.532652
Molar Refractivity
109.4469
Polarizability
41.92177
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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