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Chemical ID: 6702427
Chemical ID:
6702427
Name [?]:
(2-chlorophenyl)-[2-(trifluoromethyl)phenyl]sulfonyl-azanide
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[N-]c2ccccc2Cl
InChi [?]:
InChI=1/C13H8ClF3NO2S/c14-10-6-2-3-7-11(10)18-21(19,20)12-8-4-1-5-9(12)13(15,16)17/h1-8H/q-1
InChi Info:
AuxInfo=1/0/N:1,18,17,2,6,19,16,3,5,20,15,4,7,21,8,9,10,14,12,13,11/E:(15,16,17)(19,20)/CRV:18-1,21.6/rA:21nCCCCCCCFFFSOON-CCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8ClF3NO2S- |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.0703 |
Area: | 443.916 |
Solvation: | -34.1682 |
Coulombic: | 6.15275 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 334.722 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.1 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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