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Chemical ID: 6699776
Chemical ID:
6699776
Name [?]:
2-hydroxy-2,2-bis(p-tolyl)-N-(1H-pyridin-2-yl)acetamide
SMILES [?]:
Cc1ccc(cc1)C(c2ccc(cc2)C)(C(=O)Nc3cccc[nH+]3)O
InChi [?]:
InChI=1/C21H20N2O2/c1-15-6-10-17(11-7-15)21(25,18-12-8-16(2)9-13-18)20(24)23-19-5-3-4-14-22-19/h3-14,25H,1-2H3,(H,22,23,24)/p+1
InChi Info:
AuxInfo=1/1/N:1,15,21,22,20,3,7,11,13,4,6,10,14,23,2,12,5,9,19,16,8,24,18,17,25/E:(1,2)(6,7,8,9)(10,11,12,13)(15,16)(17,18)/rA:25nCCCCCCCCCCCCCCCCONCCCCCN+O/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s12;s8;d16;s16;s18;s19;d20;s21;d22;d19s23;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N2O2+ |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.1548 |
Area: | 541.216 |
Solvation: | -33.6852 |
Coulombic: | -35.5768 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 333.404 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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