Molecule

ID:56541

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₀Cl₃NO
Molecular Mass
350.6264
Exact Mass
348.98279699
Charge
0
InChI
InChI=1S/C17H10Cl3NO/c1-9-14(19)7-6-12-13(17(20)22)8-15(21-16(9)12)10-2-4-11(18)5-3-10/h2-8H,1H3
InChIKey
ROCLWKZJODZHRV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.0763955
LogD (pH = 7.4)
6.0763993
Log P
6.0763993
Molar Refractivity
90.509
Polarizability
37.12985
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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