Molecule

ID:28796

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₆F₃NO
Molecular Mass
365.4324496
Exact Mass
365.19664912
Charge
0
InChI
InChI=1S/C21H26F3NO/c1-4-15(3)19-11-6-7-12-20(19)26-18(5-2)14-25-17-10-8-9-16(13-17)21(22,23)24/h6-13,15,18,25H,4-5,14H2,1-3H3
InChIKey
XRMJWJCEFVDYMB-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccccc1C(CC)C)CNc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(NCC(Oc2c(C(CC)C)cccc2)CC)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.5895953
LogD (pH = 7.4)
6.5965085
Log P
6.596597
Molar Refractivity
100.5123
Polarizability
37.324726
Polar Surface Area
21.26
Rotatable Bonds
9
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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