Molecule

ID:36205

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl₂NO
Molecular Mass
292.15994
Exact Mass
291.02176934
Charge
0
InChI
InChI=1S/C15H11Cl2NO/c16-13-2-1-3-14(17)12(13)8-9-15(19)10-4-6-11(18)7-5-10/h1-9H,18H2/b9-8+
InChIKey
YUPIHOPAAVGRCF-CMDGGOBGSA-N
Canonic Smiles
O=C(c1ccc(cc1)N)/C=C/c1c(Cl)cccc1Cl
Isomeric Smiles
C(=C\C(=O)c1ccc(N)cc1)/c1c(Cl)cccc1Cl
Calculated Properties
JChem
Acid pKa
16.312263
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2686877
LogD (pH = 7.4)
4.269479
Log P
4.269489
Molar Refractivity
81.187
Polarizability
30.2118
Polar Surface Area
43.09
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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