Molecule

ID:96134

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄ClF₃N₂O₃
Molecular Mass
374.7421696
Exact Mass
374.06450466
Charge
0
InChI
InChI=1S/C16H14ClF3N2O3/c1-24-11-5-3-4-9(13(11)25-2)8-22-15(23)12-10(16(18,19)20)6-7-21-14(12)17/h3-7H,8H2,1-2H3,(H,22,23)
InChIKey
FPFDJSOIYLKALC-UHFFFAOYSA-N
Canonic Smiles
COc1c(cccc1OC)CNC(=O)c1c(Cl)nccc1C(F)(F)F
Isomeric Smiles
N(C(=O)c1c(ccnc1Cl)C(F)(F)F)Cc1cccc(c1OC)OC
Calculated Properties
JChem
Acid pKa
11.815908
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.9410896
LogD (pH = 7.4)
2.9410758
Log P
2.9410906
Molar Refractivity
87.255
Polarizability
31.97583
Polar Surface Area
60.45
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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