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Chemical ID: 7706125
Chemical ID:
7706125
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H21ClN2O4/c1-16-6-11-21(12-17(16)2)30-15-23(28)27-26-14-18-4-3-5-22(13-18)31-24(29)19-7-9-20(25)10-8-19/h3-14H,15H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,8,18,17,19,3,26,30,27,29,4,6,21,15,10,2,7,16,25,28,5,20,11,23,31,14,13,12,24,9,22/E:(7,8)(9,10)/rA:31nCCCCCCCCOCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21ClN2O4 |
All Atoms: | 52 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4793 |
Area: | 715.806 |
Solvation: | -6.41585 |
Coulombic: | -46.7894 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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