Molecule

ID:20137

General Information
Structure
Molecular Formula
C₁₂H₉ClFNO
Molecular Mass
237.6573632
Exact Mass
237.03566981
Charge
0
InChI
InChI=1S/C12H9ClFNO/c13-11-7-10(5-6-12(11)14)16-9-3-1-8(15)2-4-9/h1-7H,15H2
InChIKey
VMXCUIQPQNJTMJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccc(c(c1)Cl)F
Isomeric Smiles
c1(cc(Oc2ccc(N)cc2)ccc1F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.379997
LogD (pH = 7.4)
3.391209
Log P
3.3913536
Molar Refractivity
62.0204
Polarizability
23.370403
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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