Molecule

ID:96644

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClFN₂O₂
Molecular Mass
304.7035032
Exact Mass
304.04148347
Charge
0
InChI
InChI=1S/C15H10ClFN2O2/c1-8-5-11-12(13(16)18-8)15(21)19(14(11)20)7-9-3-2-4-10(17)6-9/h2-6H,7H2,1H3
InChIKey
KKGAMWNSQSKGOQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)CN1C(=O)c2c(C1=O)c(Cl)nc(c2)C
Isomeric Smiles
N1(C(=O)c2c(cc(nc2Cl)C)C1=O)Cc1cccc(c1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5221937
LogD (pH = 7.4)
2.5221937
Log P
2.5221937
Molar Refractivity
77.3412
Polarizability
28.162457
Polar Surface Area
50.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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