Chemical ID: 5104861

Cc1ccccc1C(=O)c2ccccc2C(=O)c3ccccc3
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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