Molecule

ID:104451

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₀N₂O₂
Molecular Mass
378.5072
Exact Mass
378.23072821
Charge
0
InChI
InChI=1S/C24H30N2O2/c1-3-5-9-15-25-19-13-14-20(26-16-10-6-4-2)22-21(19)23(27)17-11-7-8-12-18(17)24(22)28/h7-8,11-14,25-26H,3-6,9-10,15-16H2,1-2H3
InChIKey
RHGBRYSELHPAFL-UHFFFAOYSA-N
Canonic Smiles
CCCCCNc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NCCCCC
Isomeric Smiles
CCCCCNc1c2C(=O)c3c(cccc3)C(=O)c2c(NCCCCC)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
6.6268888
LogD (pH = 7.4)
6.700178
Log P
6.7011976
Molar Refractivity
118.4878
Polarizability
44.01718
Polar Surface Area
58.2
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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