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Chemical ID: 5670598
Chemical ID:
5670598
Name [?]:
3-(2-chlorophenyl)-1-(4-phenylphenyl)-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3ccccc3Cl
InChi [?]:
InChI=1/C21H15ClO/c22-20-9-5-4-8-18(20)14-15-21(23)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-15H
InChi Info:
AuxInfo=1/0/N:1,2,6,19,20,3,5,18,21,8,12,9,11,16,15,4,7,17,10,22,13,23,14/E:(2,3)(6,7)(10,11)(12,13)/rA:23nCCCCCCCCCCCCCOCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15ClO |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8645 |
Area: | 524.191 |
Solvation: | -2.24033 |
Coulombic: | -13.7232 |
Bond Count [?]
All: | 25 |
Single: | 14 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.796 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.41 |
LogP (Chemaxon): | 6.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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