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Chemical ID: 7707556
Chemical ID:
7707556
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(c(c2)OC)OC)Oc3ccccc3[N+](=O)[O-]
InChi [?]:
InChI=1/C25H23N3O8/c1-16(35-21-7-5-4-6-20(21)28(31)32)24(29)27-26-15-17-8-11-19(12-9-17)36-25(30)18-10-13-22(33-2)23(14-18)34-3/h4-16H,1-3H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,26,24,31,30,32,29,9,13,18,10,12,19,22,7,2,8,17,11,33,28,20,21,3,15,6,5,34,4,16,35,36,25,23,27,14/E:(8,9)(11,12)(31,32)/CRV:28.5/rA:36cCCCONNCCCCCCCOCOCCCCCCOCOCOCCCCCCN+OO-/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s2;s27;s28;d29;s30;d31;d28s32;s33;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23N3O8 |
All Atoms: | 59 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 1.07974 |
Area: | 748.322 |
Solvation: | -17.6283 |
Coulombic: | -67.8973 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.03 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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