Molecule

ID:23232

General Information
Structure
Molecular Formula
C₁₄H₁₁Cl₂FN₂O₂
Molecular Mass
329.1537432
Exact Mass
328.01816118
Charge
0
InChI
InChI=1S/C14H11Cl2FN2O2/c15-8-1-4-13(10(16)5-8)21-7-14(20)19-12-6-9(18)2-3-11(12)17/h1-6H,7,18H2,(H,19,20)
InChIKey
ZPGVVEWPUIQCGH-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(NC(=O)COc2c(cc(cc2)Cl)Cl)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.160975
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.2470598
LogD (pH = 7.4)
3.2496197
Log P
3.249725
Molar Refractivity
81.4095
Polarizability
30.171398
Polar Surface Area
64.35
Rotatable Bonds
4
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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