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Chemical ID: 7214979
Chemical ID:
7214979
Name [?]:
ethylsulfonyl-[3-(trifluoromethyl)phenyl]-azanide
SMILES [?]:
CCS(=O)(=O)[N-]c1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C9H9F3NO2S/c1-2-16(14,15)13-8-5-3-4-7(6-8)9(10,11)12/h3-6H,2H2,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,2,9,10,8,12,11,7,13,14,15,16,6,4,5,3/E:(10,11,12)(14,15)/CRV:13-1,16.6/rA:16nCCSOON-CCCCCCCFFF/rB:s1;s2;d3;d3;s3;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9F3NO2S- |
All Atoms: | 25 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.89 |
Area: | 384.909 |
Solvation: | -33.5128 |
Coulombic: | 7.20478 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.235 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.39 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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