Molecule

ID:29324

General Information
Structure
Molecular Formula
C₂₅H₂₉NO₂
Molecular Mass
375.50326
Exact Mass
375.21982917
Charge
0
InChI
InChI=1S/C25H29NO2/c1-20(2)15-16-27-25-10-6-9-22(17-25)18-26-23-11-13-24(14-12-23)28-19-21-7-4-3-5-8-21/h3-14,17,20,26H,15-16,18-19H2,1-2H3
InChIKey
BCYHEAPXGJAOIL-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)CNc1ccc(cc1)OCc1ccccc1)C
Isomeric Smiles
N(c1ccc(OCc2ccccc2)cc1)Cc1cc(OCCC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.089001
LogD (pH = 7.4)
6.189107
Log P
6.1905456
Molar Refractivity
116.8256
Polarizability
44.94923
Polar Surface Area
30.49
Rotatable Bonds
10
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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