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Chemical ID: 7708433
Chemical ID:
7708433
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C24H23N3O5/c1-17-3-5-20(6-4-17)16-31-22-11-7-19(8-12-22)15-25-26-24(28)18(2)32-23-13-9-21(10-14-23)27(29)30/h3-15,18H,16H2,1-2H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,4,6,12,14,26,28,11,15,25,29,16,8,2,21,13,5,27,10,24,19,17,18,30,20,31,32,9,23/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(29,30)/CRV:27.5/rA:32cCCCCCCCCOCCCCCCCNNCOCCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s21;s23;s24;d25;s26;d27;d24s28;s27;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O5 |
All Atoms: | 55 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 4.97101 |
Area: | 697.819 |
Solvation: | -12.4745 |
Coulombic: | -45.7023 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.03 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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