Molecule

ID:95255

General Information
Structure
Molecular Formula
C₁₃H₁₁FN₂O
Molecular Mass
230.2376432
Exact Mass
230.0855412
Charge
0
InChI
InChI=1S/C13H11FN2O/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h1-8H,15H2,(H,16,17)
InChIKey
CVDGBBCJEMBUAZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NC(=O)c1ccccc1N
Isomeric Smiles
N(c1ccc(cc1)F)C(=O)c1c(cccc1)N
Calculated Properties
JChem
Acid pKa
11.793232
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.028714
LogD (pH = 7.4)
3.0288875
Log P
3.0289066
Molar Refractivity
66.5083
Polarizability
23.735975
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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