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Chemical ID: 5259199
Chemical ID:
5259199
Name [?]:
None
SMILES [?]:
CC(=O)n1c2ccccc2c3c1oc(c3C(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C16H13NO6/c1-8(18)17-10-7-5-4-6-9(10)11-12(15(19)21-2)13(16(20)22-3)23-14(11)17/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,23,8,7,9,6,2,10,5,11,15,14,12,16,20,4,3,17,21,18,22,13/rA:23nCCONCCCCCCCCOCCCOOCCOOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s4d11;s12;s13;s11d14;s15;d16;s16;s18;s14;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13NO6 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6958 |
Area: | 497.318 |
Solvation: | -3.73714 |
Coulombic: | -61.863 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.278 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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