Molecule

ID:4645

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃FN₂O
Molecular Mass
326.4078232
Exact Mass
326.17944159
Charge
0
InChI
InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3
InChIKey
SIDDLTBLAQYZIZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC(C1)(C)C)c1cccc(n1)c1ccc(c(c1)F)C
Isomeric Smiles
C1C(CCCN1C(=O)c1cccc(c2ccc(c(c2)F)C)n1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7219515
LogD (pH = 7.4)
4.721955
Log P
4.721955
Molar Refractivity
93.4344
Polarizability
36.796535
Polar Surface Area
33.2
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.05
LOG S
-4.21
Solubility (Water)
2.00e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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