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Chemical ID: 6896570
Chemical ID:
6896570
Name [?]:
2-(4-oxo-2-phenyl-chromen-3-yl)oxy-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2c(=O)c3ccccc3oc2c4ccccc4
InChi [?]:
InChI=1/C24H19NO4/c1-16-11-13-18(14-12-16)25-21(26)15-28-24-22(27)19-9-5-6-10-20(19)29-23(24)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,18,19,25,29,17,20,3,7,4,6,11,2,24,5,16,21,9,14,23,13,8,10,15,12,22/E:(3,4)(7,8)(11,12)(13,14)/rA:29nCCCCCCCNCOCOCCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19NO4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.249 |
Area: | 604.147 |
Solvation: | -4.85465 |
Coulombic: | -48.3898 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.05 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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