Chemical ID: 7214979

CCS(=O)(=O)[N-]c1cccc(c1)C(F)(F)F
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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