Molecule

ID:7631

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClFNO
Molecular Mass
261.6787632
Exact Mass
261.03566981
Charge
0
InChI
InChI=1S/C14H9ClFNO/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7H,9H2
InChIKey
UCZCRTPNBWBCBM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1F)OCc1ccc(cc1)Cl
Isomeric Smiles
c1cc(ccc1COc1c(c(ccc1)F)C#N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1428905
LogD (pH = 7.4)
4.1428905
Log P
4.1428905
Molar Refractivity
67.8766
Polarizability
25.810102
Polar Surface Area
33.02
Rotatable Bonds
3
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
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References
Bioactivity
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