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Chemical ID: 4506982
Chemical ID:
4506982
Name [?]:
None
SMILES [?]:
c1ccc(cc1)COC(=O)NCCC(=O)Oc2ccc3c4ccccc4c(=O)oc3c2
InChi [?]:
InChI=1/C24H19NO6/c26-22(12-13-25-24(28)29-15-16-6-2-1-3-7-16)30-17-10-11-19-18-8-4-5-9-20(18)23(27)31-21(19)14-17/h1-11,14H,12-13,15H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,3,5,22,25,18,19,13,12,31,7,4,17,21,20,26,30,14,27,9,11,15,28,10,8,16,29/E:(2,3)(6,7)/rA:31nCCCCCCCOCONCCCOOCCCCCCCCCCCOOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;s17;d18;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;s27;d20s29;d17s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19NO6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4308 |
Area: | 668.929 |
Solvation: | -4.29245 |
Coulombic: | -72.513 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 417.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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