Molecule

ID:110707

General Information
Structure
MolImage
Molecular Formula
C₃₀H₅₅N
Molecular Mass
429.7644
Exact Mass
429.43345077
Charge
0
InChI
InChI=1S/C30H55N/c1-3-5-7-9-11-13-14-16-18-23-27-31-30(28-29-24-20-19-21-25-29)26-22-17-15-12-10-8-6-4-2/h19-21,24-25,30-31H,3-18,22-23,26-28H2,1-2H3
InChIKey
VJIWMEUCJKQNOH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCNC(Cc1ccccc1)CCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCNC(CCCCCCCCCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.9602685
LogD (pH = 7.4)
8.275106
Log P
11.196351
Molar Refractivity
140.4934
Polarizability
56.151676
Polar Surface Area
12.03
Rotatable Bonds
23
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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