Molecule

ID:84667

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂N
Molecular Mass
288.17124
Exact Mass
287.02685472
Charge
0
InChI
InChI=1S/C16H11Cl2N/c1-10-7-8-12-13(9-10)19-16(18)14(15(12)17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
SRURYVBDSYIIQK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nc(c(c2Cl)c1ccccc1)Cl
Isomeric Smiles
n1c(c(c(c2c1cc(cc2)C)Cl)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.719813
LogD (pH = 7.4)
5.719814
Log P
5.719814
Molar Refractivity
80.8276
Polarizability
33.53373
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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