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Chemical ID: 7703743
Chemical ID:
7703743
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccccc3[N+](=O)[O-]
InChi [?]:
InChI=1/C25H24ClN3O6/c1-3-33-24-14-19(10-13-23(24)34-16-18-8-11-20(26)12-9-18)15-27-28-25(30)17(2)35-22-7-5-4-6-21(22)29(31)32/h4-15,17H,3,16H2,1-2H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,25,2,30,29,31,28,13,17,7,14,16,8,5,19,11,24,12,6,15,32,27,9,4,22,18,20,21,33,23,34,35,3,10,26/E:(8,9)(11,12)(31,32)/CRV:29.5/rA:35cCCOCCCCCCOCCCCCCCClCNNCOCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s24;s26;s27;d28;s29;d30;d27s31;s32;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24ClN3O6 |
All Atoms: | 59 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 1.79294 |
Area: | 755.955 |
Solvation: | -17.1059 |
Coulombic: | -50.2989 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.29 |
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.
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