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Chemical ID: 7703333
Chemical ID:
7703333
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)OC(=O)c2ccc(cc2Cl)Cl)C=NNC(=O)CNC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C23H16Cl3N3O4/c24-16-5-2-4-15(10-16)22(31)27-13-21(30)29-28-12-14-3-1-6-18(9-14)33-23(32)19-8-7-17(25)11-20(19)26/h1-12H,13H2,(H,27,31)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,29,2,28,30,6,12,11,4,32,14,18,23,3,27,31,13,5,10,15,21,25,8,33,17,16,24,19,20,22,26,9,7/rA:33nCCCCCCOCOCCCCCCClClCNNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s3;w18;s19;s20;d21;s21;s23;s24;d25;s25;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16Cl3N3O4 |
All Atoms: | 49 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 14.1387 |
Area: | 773.825 |
Solvation: | -5.20695 |
Coulombic: | -61.565 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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