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Chemical ID: 7014686
Chemical ID:
7014686
Name [?]:
None
SMILES [?]:
Cc1cccc(c1C)NC(=O)Cc2coc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C22H19NO2/c1-14-6-5-9-19(15(14)2)23-21(24)12-17-13-25-20-11-10-16-7-3-4-8-18(16)22(17)20/h3-11,13H,12H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,21,20,4,3,22,19,5,24,25,12,14,2,7,23,13,18,6,16,10,17,9,11,15/rA:25nCCCCCCCCNCOCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;s15;s13s16;d17;s18;d19;s20;d21;s18s22;d23;d16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19NO2 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50463 |
Area: | 526.636 |
Solvation: | -3.66128 |
Coulombic: | -28.2465 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 329.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.69 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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