Molecule

ID:94753

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClF₂N₂O₂
Molecular Mass
310.6832664
Exact Mass
310.03206166
Charge
0
InChI
InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
InChIKey
QQQYTWIFVNKMRW-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)NC(=O)NC(=O)c1c(cccc1F)F
Calculated Properties
JChem
Acid pKa
6.3034077
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.5468915
LogD (pH = 7.4)
2.537349
Log P
3.609642
Molar Refractivity
75.0717
Polarizability
27.198536
Polar Surface Area
58.2
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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