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Chemical ID: 4689223
Chemical ID:
4689223
Name [?]:
3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(ccc1C=CC(=O)c2cc(ccc2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H9Cl3O/c16-11-4-1-10(2-5-11)3-8-15(19)13-9-12(17)6-7-14(13)18/h1-9H
InChi Info:
AuxInfo=1/0/N:1,5,7,2,4,14,15,8,12,6,3,13,11,16,9,19,18,17,10/E:(1,2)(4,5)/rA:19nCCCCCCCCCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67004 |
Area: | 480.154 |
Solvation: | -2.33381 |
Coulombic: | -11.0769 |
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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