Molecule

ID:135786

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₀
Molecular Mass
318.495
Exact Mass
318.23475096
Charge
0
InChI
InChI=1S/C24H30/c1-3-11-21-17-24(20-15-9-6-10-16-20)22(12-4-2)18-23(21)19-13-7-5-8-14-19/h17-20H,5-10,13-16H2,1-2H3
InChIKey
NWICGNAQQCRZNV-UHFFFAOYSA-N
Canonic Smiles
CC#Cc1cc(C2CCCCC2)c(cc1C1CCCCC1)C#CC
Isomeric Smiles
CC#Cc1cc(c(cc1C1CCCCC1)C#CC)C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.177755
LogD (pH = 7.4)
8.177755
Log P
8.177755
Molar Refractivity
99.7874
Polarizability
39.738102
Polar Surface Area
0.0
Rotatable Bonds
4
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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