Molecule

ID:128703

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₂
Molecular Mass
361.47668
Exact Mass
361.20417911
Charge
0
InChI
InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
InChIKey
FMJSMJQBSVNSBF-UHFFFAOYSA-N
Canonic Smiles
CCCCC(COC(=O)/C(=C(\c1ccccc1)/c1ccccc1)/C#N)CC
Isomeric Smiles
N#C/C(=C(/c1ccccc1)\c1ccccc1)/C(=O)OCC(CC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.7829485
LogD (pH = 7.4)
6.7829485
Log P
6.7829485
Molar Refractivity
118.5835
Polarizability
42.478615
Polar Surface Area
50.09
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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