Chemical ID: 7197785

Cc1cc([nH+]c2c1c(c(s2)C(=O)N)N)C(F)F
Chemical ID:
7197785
Name [?]:
7-amino-3-(difluoromethyl)-5-methyl-9-thia-2-azoniabicyclo[4.3.0]nona-1,3,5,7-tetraene-8-carboxamide
SMILES [?]:
Cc1cc([nH+]c2c1c(c(s2)C(=O)N)N)C(F)F
InChi [?]:
InChI=1/C10H9F2N3OS/c1-3-2-4(8(11)12)15-10-5(3)6(13)7(17-10)9(14)16/h2,8H,13H2,1H3,(H2,14,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,3,2,4,7,8,9,15,11,6,16,17,14,13,5,12,10/E:(11,12)/rA:17nCCCCN+CCCCSCONNCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;d11;s11;s8;s4;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10F2N3OS+
All Atoms:27
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-26.5659
Area:392.937
Solvation:-36.3894
Coulombic:-40.0873
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:258.269
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:1.18
LogP (Chemaxon):1.4

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Descriptor Annotations

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