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Chemical ID: 6630862
Chemical ID:
6630862
Name [?]:
1-(2-naphthyl)-2-[4-(4-pyridyl)-1-pyridyl]-ethanone
SMILES [?]:
c1ccc2cc(ccc2c1)C(=O)C[n+]3ccc(cc3)c4ccncc4
InChi [?]:
InChI=1/C22H17N2O/c25-22(21-6-5-17-3-1-2-4-20(17)15-21)16-24-13-9-19(10-14-24)18-7-11-23-12-8-18/h1-15H,16H2/q+1
InChi Info:
AuxInfo=1/0/N:1,2,10,3,8,7,21,25,16,18,22,24,15,19,5,13,9,20,17,4,6,11,23,14,12/E:(7,8)(9,10)(11,12)(13,14)/CRV:24+1/rA:25nCCCCCCCCCCCOCN+CCCCCCCCNCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17N2O+ |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.6666 |
Area: | 544.247 |
Solvation: | -32.2728 |
Coulombic: | 9.42164 |
Bond Count [?]
All: | 28 |
Single: | 16 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.383 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.5 |
LogP (Chemaxon): | -0.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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