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Chemical ID: 6680124
Chemical ID:
6680124
Name [?]:
None
SMILES [?]:
c1cc2c(cc1N)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O
InChi [?]:
InChI=1/C20H13NO5/c21-10-1-4-13-16(7-10)20(26-19(13)24)14-5-2-11(22)8-17(14)25-18-9-12(23)3-6-15(18)20/h1-9,22-23H,21H2
InChi Info:
AuxInfo=1/0/N:1,11,19,2,10,18,5,13,21,6,12,20,3,9,17,4,14,16,25,8,7,23,22,26,15,24/E:(2,3)(5,6)(8,9)(11,12)(14,15)(17,18)(22,23)/rA:26cCCCCCCNCCCCCCCOCCCCCCOOOCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;d10;s11;d12;d9s13;s14;s15;s8s16;d17;s18;d19;d16s20;s20;s12;s8;s3s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13NO5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82885 |
Area: | 509.063 |
Solvation: | -4.89772 |
Coulombic: | -75.8907 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 347.321 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 1.75 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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