Molecule

ID:71375

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNO
Molecular Mass
203.2123032
Exact Mass
203.07464217
Charge
0
InChI
InChI=1S/C12H10FNO/c1-15-12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-8H,1H3
InChIKey
SSQRKGMAMVYKQY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)c1ccncc1
Isomeric Smiles
c1cc(ccn1)c1cc(c(cc1)OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2668786
LogD (pH = 7.4)
2.3860106
Log P
2.3878293
Molar Refractivity
55.7169
Polarizability
22.540722
Polar Surface Area
22.12
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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