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Chemical ID: 4261249
Chemical ID:
4261249
Name [?]:
1-phenyl-3-(2,4,6-trimethylphenyl)-prop-2-en-1-one
SMILES [?]:
Cc1cc(c(c(c1)C)C=CC(=O)c2ccccc2)C
InChi [?]:
InChI=1/C18H18O/c1-13-11-14(2)17(15(3)12-13)9-10-18(19)16-7-5-4-6-8-16/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,19,16,15,17,14,18,9,10,7,3,2,6,4,13,5,11,12/E:(2,3)(5,6)(7,8)(11,12)(14,15)/rA:19nCCCCCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94912 |
Area: | 444.654 |
Solvation: | -2.16722 |
Coulombic: | -10.9253 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.16 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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