Molecule

ID:99860

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrFNO
Molecular Mass
274.1294232
Exact Mass
273.01645426
Charge
0
InChI
InChI=1S/C11H13BrFNO/c1-11(2,3)14-10(15)8-6-7(13)4-5-9(8)12/h4-6H,1-3H3,(H,14,15)
InChIKey
SSXSKZCGJIFORU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(F)ccc1Br)NC(C)(C)C
Isomeric Smiles
N(C(C)(C)C)C(=O)c1cc(ccc1Br)F
Calculated Properties
JChem
Acid pKa
13.284251
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0129762
LogD (pH = 7.4)
3.012976
Log P
3.0129764
Molar Refractivity
61.6779
Polarizability
23.105383
Polar Surface Area
29.1
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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