Molecule

ID:28929

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NO
Molecular Mass
311.46106
Exact Mass
311.22491455
Charge
0
InChI
InChI=1S/C21H29NO/c1-6-17(4)20-9-7-8-10-21(20)23-18(5)14-22-19-12-15(2)11-16(3)13-19/h7-13,17-18,22H,6,14H2,1-5H3
InChIKey
LVBPBHSCRNCHOO-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OC(CNc1cc(C)cc(c1)C)C)C
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC(CNc1cc(cc(c1)C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.190164
LogD (pH = 7.4)
6.222639
Log P
6.223069
Molar Refractivity
100.097
Polarizability
38.142265
Polar Surface Area
21.26
Rotatable Bonds
7
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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