Molecule

ID:29325

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₂
Molecular Mass
361.47668
Exact Mass
361.20417911
Charge
0
InChI
InChI=1S/C24H27NO2/c1-3-19(2)27-24-13-9-20(10-14-24)17-25-22-11-15-23(16-12-22)26-18-21-7-5-4-6-8-21/h4-16,19,25H,3,17-18H2,1-2H3
InChIKey
BDWUTIBSDJZDLJ-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)CNc1ccc(cc1)OCc1ccccc1)C
Isomeric Smiles
N(c1ccc(OCc2ccccc2)cc1)Cc1ccc(OC(CC)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.7732944
LogD (pH = 7.4)
5.874083
Log P
5.875533
Molar Refractivity
112.0948
Polarizability
43.10263
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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