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Chemical ID: 7705501
Chemical ID:
7705501
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc(c2C=NNC(=O)COc3ccc(cc3)[N+](=O)[O-])OC(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C26H18ClN3O6/c27-19-8-5-18(6-9-19)26(32)36-24-14-7-17-3-1-2-4-22(17)23(24)15-28-29-25(31)16-35-21-12-10-20(11-13-21)30(33)34/h1-15H,16H2,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,31,35,7,32,34,20,22,19,23,8,11,16,5,30,33,21,18,4,10,9,14,28,36,12,13,24,15,29,25,26,17,27/E:(5,6)(8,9)(10,11)(12,13)(33,34)/CRV:30.5/rA:36nCCCCCCCCCCCNNCOCOCCCCCCN+OO-OCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s9;s27;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H18ClN3O6 |
All Atoms: | 54 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.71329 |
Area: | 727.198 |
Solvation: | -12.4667 |
Coulombic: | -57.0835 |
Bond Count [?]
All: | 39 |
Single: | 24 |
Double: | 15 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.83 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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