Molecule

ID:23251

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FN₂O
Molecular Mass
194.2055432
Exact Mass
194.0855412
Charge
0
InChI
InChI=1S/C10H11FN2O/c11-8-4-3-7(12)5-9(8)13-10(14)6-1-2-6/h3-6H,1-2,12H2,(H,13,14)
InChIKey
HFZKCCMFQDRQJQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)C1CC1
Calculated Properties
JChem
Acid pKa
11.813054
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2998197
LogD (pH = 7.4)
1.3044529
Log P
1.3045284
Molar Refractivity
53.237
Polarizability
19.004082
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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