Molecule

ID:56579

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₃Cl₂NO
Molecular Mass
330.20792
Exact Mass
329.0374194
Charge
0
InChI
InChI=1S/C18H13Cl2NO/c1-2-11-6-8-12(9-7-11)16-10-14(18(20)22)13-4-3-5-15(19)17(13)21-16/h3-10H,2H2,1H3
InChIKey
BTOYDGMAHHTDPK-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)CC)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.9169226
LogD (pH = 7.4)
5.9169235
Log P
5.9169235
Molar Refractivity
90.3052
Polarizability
37.155663
Polar Surface Area
29.96
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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