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Chemical ID: 7344674
Chemical ID:
7344674
Name [?]:
2-[3-(2,5-dimethoxyphenyl)-2-oxo-chromen-7-yl]oxyacetamide
SMILES [?]:
COc1ccc(c(c1)c2cc3ccc(cc3oc2=O)OCC(=O)N)OC
InChi [?]:
InChI=1/C19H17NO6/c1-23-12-5-6-16(24-2)14(8-12)15-7-11-3-4-13(25-10-18(20)21)9-17(11)26-19(15)22/h3-9H,10H2,1-2H3,(H2,20,21)
InChi Info:
AuxInfo=1/1/N:1,26,12,13,4,5,10,8,15,21,11,3,14,7,9,6,16,22,18,24,23,19,2,25,20,17/rA:26nCOCCCCCCCCCCCCCCOCOOCCONOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;d12;s13;d14;d11s15;s16;s9s17;d18;s14;s20;s21;d22;s22;s6;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO6 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.72572 |
Area: | 560.988 |
Solvation: | -8.29897 |
Coulombic: | -64.0002 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 355.341 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.03 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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