Molecule

ID:3193

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₅F₂NO₂
Molecular Mass
375.3675064
Exact Mass
375.10708517
Charge
0
InChI
InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
InChIKey
PHEZJEYUWHETKO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccc(cc1)c1ccccc1F)C
Isomeric Smiles
Cc1c(nc2ccc(F)cc2c1C(=O)O)c1ccc(cc1)c1ccccc1F
Calculated Properties
JChem
Acid pKa
3.3832228
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.1594267
LogD (pH = 7.4)
2.8593519
Log P
6.2676096
Molar Refractivity
102.6099
Polarizability
42.25529
Polar Surface Area
50.19
Rotatable Bonds
3
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
5.05
LOG S
-5.84
Solubility (Water)
5.39e-04 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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