Molecule

ID:29640

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₅NO₃
Molecular Mass
397.5503
Exact Mass
397.26169399
Charge
0
InChI
InChI=1S/C25H35NO3/c1-2-27-17-18-29-25-10-6-9-22(19-25)20-26-23-11-13-24(14-12-23)28-16-15-21-7-4-3-5-8-21/h6,9-14,19,21,26H,2-5,7-8,15-18,20H2,1H3
InChIKey
CWPYXRDAHLDLPO-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)CNc1ccc(cc1)OCCC1CCCCC1
Isomeric Smiles
N(c1ccc(cc1)OCCC1CCCCC1)Cc1cc(OCCOCC)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.5401926
LogD (pH = 7.4)
5.64438
Log P
5.645885
Molar Refractivity
120.0059
Polarizability
46.32897
Polar Surface Area
39.72
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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