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Chemical ID: 6896827
Chemical ID:
6896827
Name [?]:
2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxy-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2c(=O)c3ccccc3oc2c4ccco4
InChi [?]:
InChI=1/C22H17NO5/c1-14-7-2-4-9-16(14)23-19(24)13-27-22-20(25)15-8-3-5-10-17(15)28-21(22)18-11-6-12-26-18/h2-12H,13H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,4,18,5,19,26,3,17,6,20,25,27,11,2,16,7,21,24,9,14,23,13,8,10,15,28,12,22/rA:28nCCCCCCCNCOCOCCOCCCCCCOCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17NO5 |
All Atoms: | 45 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60857 |
Area: | 578.805 |
Solvation: | -5.86156 |
Coulombic: | -53.4065 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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