Chemical ID: 4767271

c1ccc2c(c1)n3cnnc3s2
Chemical ID:
4767271
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)n3cnnc3s2
InChi [?]:
InChI=1/C8H5N3S/c1-2-4-7-6(3-1)11-5-9-10-8(11)12-7/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,5,4,11,9,10,7,12/rA:12nCCCCCCNCNNCS/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s4s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5N3S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.53115
Area:314.212
Solvation:-1.32414
Coulombic:-11.9697
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:175.212
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.1
LogP (Chemaxon):1.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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