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Chemical ID: 5197697
Chemical ID:
5197697
Name [?]:
1-amino-4-(dimethylsulfamoyloxy)benzene
SMILES [?]:
CN(C)S(=O)(=O)Oc1ccc(cc1)N
InChi [?]:
InChI=1/C8H12N2O3S/c1-10(2)14(11,12)13-8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,12,9,13,11,8,14,2,5,6,7,4/E:(1,2)(3,4)(5,6)(11,12)/CRV:14.6/rA:14nCNCSOOOCCCCCCN/rB:s1;s2;s2;d4;d4;s4;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N2O3S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.8232 |
Area: | 353.819 |
Solvation: | -2.02227 |
Coulombic: | -27.6064 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 216.259 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.28 |
LogP (Chemaxon): | 0.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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