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Chemical ID: 7371743
Chemical ID:
7371743
Name [?]:
3-(2,5-dimethylphenyl)-1-(p-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2cc(ccc2C)C
InChi [?]:
InChI=1/C18H18O/c1-13-5-8-16(9-6-13)18(19)11-10-17-12-14(2)4-7-15(17)3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,15,3,7,16,4,6,11,10,13,2,14,17,5,12,8,9/E:(5,6)(8,9)/rA:19nCCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9361 |
Area: | 472.904 |
Solvation: | -1.88649 |
Coulombic: | -11.7126 |
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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