Molecule

ID:29367

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₁NO₃
Molecular Mass
405.52924
Exact Mass
405.23039386
Charge
0
InChI
InChI=1S/C26H31NO3/c1-2-3-7-18-28-25-14-10-22(11-15-25)21-27-23-12-16-26(17-13-23)30-20-19-29-24-8-5-4-6-9-24/h4-6,8-17,27H,2-3,7,18-21H2,1H3
InChIKey
LXFBCIQDVXOYRE-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)CNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)OCCOc1ccccc1)Cc1ccc(cc1)OCCCCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
6.1634507
LogD (pH = 7.4)
6.2661905
Log P
6.2676716
Molar Refractivity
122.8176
Polarizability
47.444637
Polar Surface Area
39.72
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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