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Chemical ID: 6669663
Chemical ID:
6669663
Name [?]:
3-(2,6-dimethylphenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
Cc1cccc(c1C=CC(=O)c2ccccc2)C
InChi [?]:
InChI=1/C17H16O/c1-13-7-6-8-14(2)16(13)11-12-17(18)15-9-4-3-5-10-15/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,4,3,5,13,17,8,9,2,6,12,7,10,11/E:(1,2)(4,5)(7,8)(9,10)(13,14)/rA:18nCCCCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4246 |
Area: | 422.135 |
Solvation: | -2.12877 |
Coulombic: | -11.1819 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 236.308 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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