Molecule

ID:7633

General Information
Structure
Molecular Formula
C₁₄H₁₀FNO
Molecular Mass
227.2337032
Exact Mass
227.07464217
Charge
0
InChI
InChI=1S/C14H10FNO/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKey
JLTWAYPSQIKWIL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1F)Oc1ccc(cc1)C
Isomeric Smiles
c1c(ccc(c1)Oc1cccc(c1C#N)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9857526
LogD (pH = 7.4)
3.9857526
Log P
3.9857526
Molar Refractivity
63.278
Polarizability
23.902248
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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