Molecule

ID:55773

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClF₃N₂O
Molecular Mass
266.6474096
Exact Mass
266.04337529
Charge
0
InChI
InChI=1S/C10H9F3N2O.ClH/c1-15-8-5(7(14)9(15)16)3-2-4-6(8)10(11,12)13;/h2-4,7H,14H2,1H3;1H
InChIKey
QIOCJGARSGFQDC-UHFFFAOYSA-N
Canonic Smiles
NC1c2cccc(c2N(C1=O)C)C(F)(F)F.Cl
Isomeric Smiles
N1(c2c(C(C1=O)N)cccc2C(F)(F)F)C.Cl
Calculated Properties
JChem
Acid pKa
14.135114
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8852394
LogD (pH = 7.4)
0.6898937
Log P
0.99192446
Molar Refractivity
51.6702
Polarizability
19.049397
Polar Surface Area
46.33
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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