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Chemical ID: 5769192
Chemical ID:
5769192
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3ccccc3c(=O)n(c2=O)c4ccc(cc4)C(=O)O
InChi [?]:
InChI=1/C21H13NO4/c23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(24)22(19)14-11-9-13(10-12-14)21(25)26/h1-12H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,20,22,19,23,21,18,5,7,4,12,16,13,24,15,17,14,25,26/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(19,20)(23,24)(25,26)/rA:26nCCCCCCCCCCCCCONCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s12;d13;s13;s4s15;d16;s15;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H13NO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86989 |
Area: | 512.805 |
Solvation: | -2.95023 |
Coulombic: | -56.9301 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 343.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.25 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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