Molecule

ID:95310

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClFNO₄
Molecular Mass
309.6769632
Exact Mass
309.02041367
Charge
0
InChI
InChI=1S/C14H9ClFNO4/c15-8-9-1-3-10(4-2-9)14(18)21-13-7-11(16)5-6-12(13)17(19)20/h1-7H,8H2
InChIKey
HXGROZSDCMOQGS-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)C(=O)Oc1cc(F)ccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1OC(=O)c1ccc(cc1)CCl)F)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.3046093
LogD (pH = 7.4)
4.3046093
Log P
4.3046093
Molar Refractivity
75.2689
Polarizability
27.828924
Polar Surface Area
72.12
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
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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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