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Chemical ID: 6663466
Chemical ID:
6663466
Name [?]:
10-(p-tolylmethylene)anthracen-9-one
SMILES [?]:
Cc1ccc(cc1)C=C2c3ccccc3C(=O)c4c2cccc4
InChi [?]:
InChI=1/C22H16O/c1-15-10-12-16(13-11-15)14-21-17-6-2-4-8-19(17)22(23)20-9-5-3-7-18(20)21/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,21,13,22,11,20,14,23,3,7,4,6,8,2,5,10,19,15,18,9,16,17/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)(19,20)/rA:23nCCCCCCCCCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s9s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2157 |
Area: | 473.73 |
Solvation: | -1.62758 |
Coulombic: | -13.9198 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 296.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.48 |
LogP (Chemaxon): | 5.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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