Molecule

ID:84244

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈BrCl₂NO
Molecular Mass
320.99732
Exact Mass
318.91663124
Charge
0
InChI
InChI=1S/C11H8BrCl2NO/c1-6-7(5-12)11(15-16-6)10-8(13)3-2-4-9(10)14/h2-4H,5H2,1H3
InChIKey
DHHBTFDTRDVDID-UHFFFAOYSA-N
Canonic Smiles
BrCc1c(C)onc1c1c(Cl)cccc1Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)Cl)c(c(o1)C)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.551254
LogD (pH = 7.4)
4.5512547
Log P
4.5512547
Molar Refractivity
69.8739
Polarizability
27.400913
Polar Surface Area
26.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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