Molecule

ID:19911

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClFNO
Molecular Mass
251.6839432
Exact Mass
251.05131988
Charge
0
InChI
InChI=1S/C13H11ClFNO/c1-8-2-5-12(16)13(6-8)17-9-3-4-11(15)10(14)7-9/h2-7H,16H2,1H3
InChIKey
DTTIVBDDUXZKJU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Oc1ccc(c(c1)Cl)F)N
Isomeric Smiles
c1(Oc2cc(c(cc2)F)Cl)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.903174
LogD (pH = 7.4)
3.9047549
Log P
3.9047751
Molar Refractivity
67.0616
Polarizability
25.130173
Polar Surface Area
35.25
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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