Molecule

ID:29639

General Information
Structure
MolImage
Molecular Formula
C₂₇H₃₉NO₂
Molecular Mass
409.60406
Exact Mass
409.29807949
Charge
0
InChI
InChI=1S/C27H39NO2/c1-4-27(2,3)23-10-14-25(15-11-23)30-21-19-28-24-12-16-26(17-13-24)29-20-18-22-8-6-5-7-9-22/h10-17,22,28H,4-9,18-21H2,1-3H3
InChIKey
HBBOLMGENLEDON-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCCNc1ccc(cc1)OCCC1CCCCC1)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNc1ccc(cc1)OCCC1CCCCC1)(CC)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.2329545
LogD (pH = 7.4)
7.400311
Log P
7.4029255
Molar Refractivity
126.9571
Polarizability
49.27533
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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