Molecule

ID:56498

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁Cl₂NO
Molecular Mass
316.18134
Exact Mass
315.02176934
Charge
0
InChI
InChI=1S/C17H11Cl2NO/c1-10-3-2-4-11(7-10)16-9-14(17(19)21)13-8-12(18)5-6-15(13)20-16/h2-9H,1H3
InChIKey
URCULIGTVBHLLA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(cc(n2)c1cccc(c1)C)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c1)c1cc(ccc1)C)ccc(c2)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4723516
LogD (pH = 7.4)
5.472355
Log P
5.472355
Molar Refractivity
85.7042
Polarizability
35.28511
Polar Surface Area
29.96
Rotatable Bonds
2
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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