Molecule

ID:20993

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrClFNO
Molecular Mass
310.5903632
Exact Mass
308.99313197
Charge
0
InChI
InChI=1S/C11H13BrFNO.ClH/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H
InChIKey
GNQTVEISVLMNLE-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)OC1CCNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)Br)F)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8366113
LogD (pH = 7.4)
0.007708479
Log P
2.3707874
Molar Refractivity
60.5168
Polarizability
23.541416
Polar Surface Area
21.26
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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