Molecule

ID:29450

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₇NO₂
Molecular Mass
383.56678
Exact Mass
383.28242943
Charge
0
InChI
InChI=1S/C25H37NO2/c1-5-7-8-9-18-27-24-12-10-11-22(20-24)26-17-19-28-23-15-13-21(14-16-23)25(3,4)6-2/h10-16,20,26H,5-9,17-19H2,1-4H3
InChIKey
LOOIECMLJXVUHG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1cccc(c1)NCCOc1ccc(cc1)C(CC)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNc1cc(OCCCCCC)ccc1)(CC)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.128111
LogD (pH = 7.4)
7.1349754
Log P
7.1350636
Molar Refractivity
119.6097
Polarizability
46.322872
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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