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Chemical ID: 4743282
Chemical ID:
4743282
Name [?]:
2-(p-tolyl)chroman-4-one
SMILES [?]:
Cc1ccc(cc1)C2CC(=O)c3ccccc3O2
InChi [?]:
InChI=1/C16H14O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-9,16H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,3,7,4,6,9,2,5,12,10,17,8,11,18/E:(6,7)(8,9)/rA:18cCCCCCCCCCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.10817 |
Area: | 418.981 |
Solvation: | -2.36635 |
Coulombic: | -18.1574 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 238.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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