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Chemical ID: 7702800
Chemical ID:
7702800
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)Cl)I
InChi [?]:
InChI=1/C21H14ClIN2O3/c22-16-10-8-15(9-11-16)21(27)28-17-5-3-4-14(12-17)13-24-25-20(26)18-6-1-2-7-19(18)23/h1-13H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,6,3,22,26,23,25,17,11,12,21,24,16,5,4,7,19,27,28,10,9,8,20,18/E:(8,9)(10,11)/rA:28nCCCCCCCONNCCCCCCCOCOCCCCCCClI/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14ClIN2O3 |
All Atoms: | 42 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.4908 |
Area: | 663.977 |
Solvation: | -4.10861 |
Coulombic: | -41.2818 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.19 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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