Chemical ID: 7195763

c1cc(sc1)c2ccnc3n2ncc3C(=O)[O-]
Chemical ID:
7195763
Name [?]:
5-(2-thienyl)-2,6,7-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene-9-carboxylate
SMILES [?]:
c1cc(sc1)c2ccnc3n2ncc3C(=O)[O-]
InChi [?]:
InChI=1/C11H7N3O2S/c15-11(16)7-6-13-14-8(3-4-12-10(7)14)9-2-1-5-17-9/h1-6H,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,7,8,5,13,14,6,3,10,15,9,12,11,16,17,4/E:(15,16)/rA:17nCCCSCCCCNCNNCCCOO-/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s9;s6s10;s11;d12;d10s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6N3O2S-
All Atoms:23
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-34.5471
Area:398.837
Solvation:-44.5181
Coulombic:-10.5371
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:244.25
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.34
LogP (Chemaxon):1.3

Name Annotations

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Descriptor Annotations

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