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Chemical ID: 5593534
Chemical ID:
5593534
Name [?]:
5-bromo-3-(2,4,6-trichlorophenyl)aminoimino-indolin-2-one
SMILES [?]:
c1cc2c(cc1Br)C(=NNc3c(cc(cc3Cl)Cl)Cl)C(=O)N2
InChi [?]:
InChI=1/C14H7BrCl3N3O/c15-6-1-2-11-8(3-6)12(14(22)19-11)20-21-13-9(17)4-7(16)5-10(13)18/h1-5,21H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,5,13,15,6,14,4,12,16,3,8,11,20,7,18,19,17,22,9,10,21/E:(4,5)(9,10)(17,18)/rA:22nCCCCCCBrCNNCCCCCCClClClCON/rB:s1;d2;s3;d4;d1s5;s6;s4;w8;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;s12;s8;d20;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H7BrCl3N3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3246 |
Area: | 511.426 |
Solvation: | -2.461 |
Coulombic: | -32.7595 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 419.487 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.87 |
LogP (Chemaxon): | 5.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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