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Chemical ID: 5665067
Chemical ID:
5665067
Name [?]:
1-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)C=CC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H9Cl3O/c16-12-7-4-10(5-8-12)14(19)9-6-11-2-1-3-13(17)15(11)18/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,18,9,15,17,10,13,3,16,5,11,4,19,7,8,12/E:(4,5)(7,8)/rA:19nCCCCCCClClCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2354 |
Area: | 484.058 |
Solvation: | -1.866 |
Coulombic: | -12.5051 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.589 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.71 |
LogP (Chemaxon): | 5.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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