Molecule

ID:51247

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrClNO₃
Molecular Mass
304.52448
Exact Mass
302.92978277
Charge
0
InChI
InChI=1S/C10H7BrClNO3/c1-15-10(14)6-2-5(11)3-7-9(6)16-8(4-12)13-7/h2-3H,4H2,1H3
InChIKey
DXKPKZOXRHNVRR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Br)cc2c1oc(n2)CCl
Isomeric Smiles
c1(c2c(nc(o2)CCl)cc(c1)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7525036
LogD (pH = 7.4)
2.7525036
Log P
2.7525036
Molar Refractivity
61.5651
Polarizability
24.89073
Polar Surface Area
52.33
Rotatable Bonds
3
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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