Molecule

ID:28964

General Information
Structure
Molecular Formula
C₃₀H₅₅NO
Molecular Mass
445.7638
Exact Mass
445.42836539
Charge
0
InChI
InChI=1S/C30H55NO/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-25-31-26-28(7-3)32-30-24-21-20-23-29(30)27(4)6-2/h20-21,23-24,27-28,31H,5-19,22,25-26H2,1-4H3
InChIKey
CLIFPJYOATWUDZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCC(Oc1ccccc1C(CC)C)CC
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC(CNCCCCCCCCCCCCCCCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.5236154
LogD (pH = 7.4)
8.28141
Log P
10.738569
Molar Refractivity
142.0658
Polarizability
56.770573
Polar Surface Area
21.26
Rotatable Bonds
22
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
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References
Bioactivity
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