Molecule

ID:41658

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂NO
Molecular Mass
228.07468
Exact Mass
226.99046921
Charge
0
InChI
InChI=1S/C10H7Cl2NO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-5H,6H2
InChIKey
NSPBTJFAUPZOHK-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(c1)c1ccc(cc1)Cl
Isomeric Smiles
n1c(cc(o1)CCl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4821544
LogD (pH = 7.4)
3.4821548
Log P
3.4821548
Molar Refractivity
56.8134
Polarizability
22.792974
Polar Surface Area
26.03
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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