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Chemical ID: 5104871
Chemical ID:
5104871
Name [?]:
[2-(o-tolylmethyl)phenyl]-phenyl-methanone
SMILES [?]:
Cc1ccccc1Cc2ccccc2C(=O)c3ccccc3
InChi [?]:
InChI=1/C21H18O/c1-16-9-5-6-12-18(16)15-19-13-7-8-14-20(19)21(22)17-10-3-2-4-11-17/h2-14H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,4,5,11,12,3,18,22,6,10,13,8,2,17,7,9,14,15,16/E:(3,4)(10,11)/rA:22nCCCCCCCCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4003 |
Area: | 486.6 |
Solvation: | -1.7647 |
Coulombic: | -13.9579 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.367 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.98 |
LogP (Chemaxon): | 5.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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