Chemical ID: 7219419

Cn1cc(cn1)S(=O)(=O)[N-]c2ncn(n2)Cc3ccc(cc3Cl)Cl
Chemical ID:
7219419
Name [?]:
[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-(1-methylpyrazol-4-yl)sulfonyl-azanide
SMILES [?]:
Cn1cc(cn1)S(=O)(=O)[N-]c2ncn(n2)Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2N6O2S/c1-20-7-11(5-17-20)24(22,23)19-13-16-8-21(18-13)6-9-2-3-10(14)4-12(9)15/h2-5,7-8H,6H2,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,18,19,21,5,16,3,13,17,20,4,22,11,24,23,12,6,15,10,2,14,8,9,7/E:(22,23)/CRV:19-1,24.6/rA:24nCNCCCNSOON-CNCNNCCCCCCCClCl/rB:s1;s2;d3;s4;s2d5;s4;d7;d7;s7;s10;s11;d12;s13;d11s14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11Cl2N6O2S-
All Atoms:35
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-22.5132
Area:570.519
Solvation:-36.7761
Coulombic:11.9589
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:386.237
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.2
LogP (Chemaxon):1.84

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Descriptor Annotations

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