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Chemical ID: 5759573
Chemical ID:
5759573
Name [?]:
3-(2,4-dichlorophenyl)-1-(4-phenylphenyl)-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H14Cl2O/c22-19-12-10-17(20(23)14-19)11-13-21(24)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-14H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,12,9,11,18,16,19,15,21,4,7,17,10,20,22,13,24,23,14/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCCCCCCCCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14Cl2O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8484 |
Area: | 560.574 |
Solvation: | -2.16591 |
Coulombic: | -13.7329 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 353.241 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 7.03 |
LogP (Chemaxon): | 6.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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