Molecule

ID:14835

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO
Molecular Mass
254.11196
Exact Mass
253.00611927
Charge
0
InChI
InChI=1S/C12H9Cl2NO/c13-11-4-3-9(6-12(11)14)7-15-5-1-2-10(15)8-16/h1-6,8H,7H2
InChIKey
NXLQSORICMVTDU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1Cc1ccc(c(c1)Cl)Cl
Isomeric Smiles
n1(c(ccc1)C=O)Cc1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.841872
LogD (pH = 7.4)
3.841872
Log P
3.841872
Molar Refractivity
66.3972
Polarizability
25.072718
Polar Surface Area
22.0
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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