Molecule

ID:29587

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₁NO
Molecular Mass
373.53044
Exact Mass
373.24056462
Charge
0
InChI
InChI=1S/C26H31NO/c1-26(2,3)23-16-14-22(15-17-23)20-27-24-12-7-13-25(19-24)28-18-8-11-21-9-5-4-6-10-21/h4-7,9-10,12-17,19,27H,8,11,18,20H2,1-3H3
InChIKey
PIWKOXHJLAGKJP-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CNc1cccc(c1)OCCCc1ccccc1)(C)C
Isomeric Smiles
C(c1ccc(CNc2cc(OCCCc3ccccc3)ccc2)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.0115476
LogD (pH = 7.4)
7.015534
Log P
7.015585
Molar Refractivity
119.9621
Polarizability
46.00976
Polar Surface Area
21.26
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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