Molecule

ID:29517

General Information
Structure
MolImage
Molecular Formula
C₃₀H₃₁NO₂
Molecular Mass
437.57264
Exact Mass
437.23547924
Charge
0
InChI
InChI=1S/C30H31NO2/c1-3-10-25(11-4-1)14-9-22-32-29-19-17-28(18-20-29)31-24-27-15-7-8-16-30(27)33-23-21-26-12-5-2-6-13-26/h1-8,10-13,15-20,31H,9,14,21-24H2
InChIKey
SKTAPAPUQIMKGG-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCCOc1ccc(cc1)NCc1ccccc1OCCc1ccccc1
Isomeric Smiles
c1(CNc2ccc(cc2)OCCCc2ccccc2)c(OCCc2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.2381325
LogD (pH = 7.4)
7.324767
Log P
7.3259916
Molar Refractivity
137.127
Polarizability
52.582886
Polar Surface Area
30.49
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
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Molecule Details
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References
Bioactivity
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