Molecule

ID:41088

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀Cl₃NO₂
Molecular Mass
354.6151
Exact Mass
352.97771161
Charge
0
InChI
InChI=1S/C16H10Cl3NO2/c1-20-14-5-3-2-4-9(14)10(8-21)16(20)22-15-7-12(18)11(17)6-13(15)19/h2-8H,1H3
InChIKey
RKZBUKNCUWKOSC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Oc2cc(Cl)c(cc2Cl)Cl)n(c2c1cccc2)C
Isomeric Smiles
c1(c(c2c(n1C)cccc2)C=O)Oc1cc(c(cc1Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4098983
LogD (pH = 7.4)
5.4098983
Log P
5.4098983
Molar Refractivity
88.5337
Polarizability
35.194912
Polar Surface Area
31.23
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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