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Chemical ID: 5277076
Chemical ID:
5277076
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OCC(=O)N)Cc5ccco5
InChi [?]:
InChI=1/C24H18N2O6/c25-19(27)13-31-15-9-7-14(8-10-15)21-20-22(28)17-5-1-2-6-18(17)32-23(20)24(29)26(21)12-16-4-3-11-30-16/h1-11,21H,12-13H2,(H2,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,30,29,6,3,17,21,18,20,31,27,23,16,19,28,5,4,24,9,15,7,10,12,26,14,25,8,13,32,22,11/E:(7,8)(9,10)/rA:32cCCCCCCCOCCOCONCCCCCCCOCCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s24;s14;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2O6 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.03908 |
Area: | 643.285 |
Solvation: | -8.04303 |
Coulombic: | -72.709 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 430.41 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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