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Chemical ID: 4733858
Chemical ID:
4733858
Name [?]:
3-(2,6-dichlorophenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C15H10Cl2O/c16-13-7-4-8-14(17)12(13)9-10-15(18)11-5-2-1-3-6-11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,10,9,4,11,12,16,7,18,17,8/E:(2,3)(5,6)(7,8)(13,14)(16,17)/rA:18nCCCCCCCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s16;s12;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20921 |
Area: | 439.756 |
Solvation: | -1.7847 |
Coulombic: | -12.619 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.145 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.09 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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