Molecule

ID:29459

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₂
Molecular Mass
375.50326
Exact Mass
375.21982917
Charge
0
InChI
InChI=1S/C25H29NO2/c1-2-3-16-27-25-14-8-12-23(19-25)26-20-22-11-7-13-24(18-22)28-17-15-21-9-5-4-6-10-21/h4-14,18-19,26H,2-3,15-17,20H2,1H3
InChIKey
VOIQGDIFZQAPAX-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)NCc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
N(c1cc(OCCCC)ccc1)Cc1cc(OCCc2ccccc2)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.188182
LogD (pH = 7.4)
6.1921372
Log P
6.192188
Molar Refractivity
117.032
Polarizability
44.87471
Polar Surface Area
30.49
Rotatable Bonds
11
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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