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Chemical ID: 5104861
Chemical ID:
5104861
Name [?]:
(2-benzoylphenyl)-(o-tolyl)methanone
SMILES [?]:
Cc1ccccc1C(=O)c2ccccc2C(=O)c3ccccc3
InChi [?]:
InChI=1/C21H16O2/c1-15-9-5-6-12-17(15)21(23)19-14-8-7-13-18(19)20(22)16-10-3-2-4-11-16/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,4,5,13,12,3,19,23,6,14,11,2,18,7,15,10,16,8,17,9/E:(3,4)(10,11)/rA:23nCCCCCCCCOCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.33572 |
Area: | 489.451 |
Solvation: | -2.90056 |
Coulombic: | -21.4967 |
Bond Count [?]
All: | 25 |
Single: | 14 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.351 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.57 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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