Molecule

ID:96264

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClF₅NO
Molecular Mass
311.635096
Exact Mass
311.01363263
Charge
0
InChI
InChI=1S/C12H6F5NO.ClH/c13-7-8(14)10(16)12(11(17)9(7)15)19-6-3-1-2-5(18)4-6;/h1-4H,18H2;1H
InChIKey
IVMJKIZBCJNWHK-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)F.Cl
Isomeric Smiles
O(c1c(c(c(c(c1F)F)F)F)F)c1cccc(c1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3569446
LogD (pH = 7.4)
3.3581018
Log P
3.3581166
Molar Refractivity
58.0812
Polarizability
20.660595
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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