Molecule
ID:101995
General Information
Molecular Formula
C₁₁H₇Cl₂NO₂
Molecular Mass
256.08478
Exact Mass
254.98538383
Charge
0
InChI
InChI=1S/C11H7Cl2NO2/c1-6(15)10-5-9(14-16-10)11-7(12)3-2-4-8(11)13/h2-5H,1H3
InChIKey
JPFRJBIHUZVDFO-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1c1noc(c1)C(=O)C)Cl
Isomeric Smiles
c1(cc(on1)C(=O)C)c1c(Cl)cccc1Cl
Calculated Properties
JChem
Acid pKa
13.481095
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0566049
LogD (pH = 7.4)
3.0566046
Log P
3.0566049
Molar Refractivity
62.1541
Polarizability
24.808277
Polar Surface Area
43.1
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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