Molecule
ID:51800
General Information
Molecular Formula
C₁₁H₁₁FINO
Molecular Mass
319.1140132
Exact Mass
318.9869402
Charge
0
InChI
InChI=1S/C11H11FINO/c1-6-9(12)4-7(5-10(6)13)11(15)14-8-2-3-8/h4-5,8H,2-3H2,1H3,(H,14,15)
InChIKey
DQRNFBLLBJOSQU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(F)c(c(c1)I)C)NC1CC1
Isomeric Smiles
C(=O)(c1cc(c(c(c1)I)C)F)NC1CC1
Calculated Properties
JChem
Acid pKa
14.447393
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0981944
LogD (pH = 7.4)
3.0981944
Log P
3.0981946
Molar Refractivity
65.8644
Polarizability
24.71096
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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