Molecule

ID:29491

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₅NO₂
Molecular Mass
369.5402
Exact Mass
369.26677937
Charge
0
InChI
InChI=1S/C24H35NO2/c1-8-26-20-11-9-10-19(17-20)25-14-15-27-22-13-12-18(23(2,3)4)16-21(22)24(5,6)7/h9-13,16-17,25H,8,14-15H2,1-7H3
InChIKey
XQAJVEFJKNRQBG-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)NCCOc1ccc(cc1C(C)(C)C)C(C)(C)C
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCCNc1cc(OCC)ccc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.3723636
LogD (pH = 7.4)
6.3792343
Log P
6.379323
Molar Refractivity
115.3476
Polarizability
44.395752
Polar Surface Area
30.49
Rotatable Bonds
9
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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