Molecule

ID:29342

General Information
Structure
Molecular Formula
C₂₀H₂₆FNO
Molecular Mass
315.4249432
Exact Mass
315.19984268
Charge
0
InChI
InChI=1S/C20H26FNO/c1-2-3-4-5-6-15-23-20-13-11-19(12-14-20)22-16-17-7-9-18(21)10-8-17/h7-14,22H,2-6,15-16H2,1H3
InChIKey
ACILWJPLUIQWGP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)NCc1ccc(cc1)F
Isomeric Smiles
N(c1ccc(cc1)OCCCCCCC)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.706713
LogD (pH = 7.4)
5.811616
Log P
5.813133
Molar Refractivity
95.2206
Polarizability
36.121807
Polar Surface Area
21.26
Rotatable Bonds
10
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
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Molecule Details
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References
Bioactivity
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