Molecule

ID:96377

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClF₃N₂O₂
Molecular Mass
328.6737296
Exact Mass
328.02263985
Charge
0
InChI
InChI=1S/C14H8ClF3N2O2/c15-12-11(5-2-6-19-12)13(21)22-20-8-9-3-1-4-10(7-9)14(16,17)18/h1-8H
InChIKey
APYNEKOACFPVMG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)O/N=C/c1cccc(c1)C(F)(F)F
Isomeric Smiles
N(=C\c1cc(ccc1)C(F)(F)F)/OC(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.37669
LogD (pH = 7.4)
4.3766932
Log P
4.3766932
Molar Refractivity
75.9686
Polarizability
27.377348
Polar Surface Area
51.55
Rotatable Bonds
5
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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