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Chemical ID: 7351180
Chemical ID:
7351180
Name [?]:
2-[3-(2,4-dimethoxyphenyl)-2-oxo-chromen-7-yl]oxyacetamide
SMILES [?]:
COc1ccc(c(c1)OC)c2cc3ccc(cc3oc2=O)OCC(=O)N
InChi [?]:
InChI=1/C19H17NO6/c1-23-12-5-6-14(17(8-12)24-2)15-7-11-3-4-13(25-10-18(20)21)9-16(11)26-19(15)22/h3-9H,10H2,1-2H3,(H2,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,14,15,4,5,12,8,17,23,13,3,16,6,11,18,7,24,20,26,25,21,2,9,22,19/rA:26nCOCCCCCCOCCCCCCCCCOCOOCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s16;s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO6 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.83708 |
Area: | 561.402 |
Solvation: | -8.19797 |
Coulombic: | -64.2477 |
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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