Chemical ID: 5593534

c1cc2c(cc1Br)C(=NNc3c(cc(cc3Cl)Cl)Cl)C(=O)N2
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

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