Molecule

ID:29650

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₉NO₂
Molecular Mass
397.59336
Exact Mass
397.29807949
Charge
0
InChI
InChI=1S/C26H39NO2/c1-6-7-8-9-10-18-28-25-13-11-12-23(19-25)27-20-21(2)29-24-16-14-22(15-17-24)26(3,4)5/h11-17,19,21,27H,6-10,18,20H2,1-5H3
InChIKey
YYIFHWLSOGXYDL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1cccc(c1)NCC(Oc1ccc(cc1)C(C)(C)C)C
Isomeric Smiles
C(c1ccc(OC(CNc2cc(OCCCCCCC)ccc2)C)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.544355
LogD (pH = 7.4)
7.551546
Log P
7.5516386
Molar Refractivity
124.0285
Polarizability
48.169006
Polar Surface Area
30.49
Rotatable Bonds
13
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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