Molecule

ID:58643

General Information
Structure
Molecular Formula
C₁₀H₁₀FN₃O
Molecular Mass
207.2043032
Exact Mass
207.08079018
Charge
0
InChI
InChI=1S/C10H10FN3O/c1-5-7-4-6(11)2-3-8(7)13-9(5)10(15)14-12/h2-4,13H,12H2,1H3,(H,14,15)
InChIKey
UZZQYWQFPBJNPU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1[nH]c2c(c1C)cc(cc2)F
Isomeric Smiles
[nH]1c(c(c2c1ccc(c2)F)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.413474
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
1.2011174
LogD (pH = 7.4)
1.2022816
Log P
1.2022969
Molar Refractivity
55.8421
Polarizability
21.221207
Polar Surface Area
70.91
Rotatable Bonds
1
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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