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Chemical ID: 4665799
Chemical ID:
4665799
Name [?]:
1-phenyl-3-(p-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)c2ccccc2
InChi [?]:
InChI=1/C16H14O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,3,7,4,6,8,9,2,5,12,10,11/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22259 |
Area: | 412.147 |
Solvation: | -2.08108 |
Coulombic: | -11.4998 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 222.282 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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