Chemical ID: 6663466

Cc1ccc(cc1)C=C2c3ccccc3C(=O)c4c2cccc4
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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