Molecule

ID:29322

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₂
Molecular Mass
361.47668
Exact Mass
361.20417911
Charge
0
InChI
InChI=1S/C24H27NO2/c1-19(2)17-27-24-11-7-6-10-21(24)16-25-22-12-14-23(15-13-22)26-18-20-8-4-3-5-9-20/h3-15,19,25H,16-18H2,1-2H3
InChIKey
BOKMJRYXYOTKTE-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccccc1CNc1ccc(cc1)OCc1ccccc1)C
Isomeric Smiles
c1(c(OCC(C)C)cccc1)CNc1ccc(OCc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.7395854
LogD (pH = 7.4)
5.8227596
Log P
5.8239307
Molar Refractivity
112.1476
Polarizability
43.10303
Polar Surface Area
30.49
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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