Molecule

ID:40509

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇ClFNO
Molecular Mass
247.6521832
Exact Mass
247.02001975
Charge
0
InChI
InChI=1S/C13H7ClFNO/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-7H
InChIKey
VZVAOBRUMZRTMM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)Oc1ccc(c(c1)F)Cl
Isomeric Smiles
c1c(c(cc(c1)Oc1ccc(cc1)C#N)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.076376
LogD (pH = 7.4)
4.076376
Log P
4.076376
Molar Refractivity
63.0416
Polarizability
24.056787
Polar Surface Area
33.02
Rotatable Bonds
2
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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