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Chemical ID: 7707877
Chemical ID:
7707877
Name [?]:
None
SMILES [?]:
COc1ccccc1OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C23H18Cl2N2O5/c1-30-20-7-2-3-8-21(20)31-14-22(28)27-26-13-15-5-4-6-17(11-15)32-23(29)18-10-9-16(24)12-19(18)25/h2-13H,14H2,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,5,6,18,17,19,4,7,27,26,21,29,15,10,16,28,20,25,30,3,8,11,23,32,31,14,13,12,24,2,9,22/rA:32nCOCCCCCCOCCONNCCCCCCCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18Cl2N2O5 |
All Atoms: | 50 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.27424 |
Area: | 732.844 |
Solvation: | -9.04686 |
Coulombic: | -52.3745 |
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: | 6.07 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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