Molecule

ID:29557

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₂
Molecular Mass
361.47668
Exact Mass
361.20417911
Charge
0
InChI
InChI=1S/C24H27NO2/c1-18-12-13-19(2)24(14-18)27-20(3)16-25-22-10-7-11-23(15-22)26-17-21-8-5-4-6-9-21/h4-15,20,25H,16-17H2,1-3H3
InChIKey
ONHBUXGIVUGPNF-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cc(C)ccc1C)CNc1cccc(c1)OCc1ccccc1
Isomeric Smiles
c1(OC(CNc2cc(OCc3ccccc3)ccc2)C)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.093135
LogD (pH = 7.4)
6.1002026
Log P
6.100293
Molar Refractivity
112.381
Polarizability
42.94956
Polar Surface Area
30.49
Rotatable Bonds
8
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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