Chemical ID: 4758106

c1ccc2c(c1)-n3c(n[nH]c3=O)CS2
Chemical ID:
4758106
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-n3c(n[nH]c3=O)CS2
InChi [?]:
InChI=1/C9H7N3OS/c13-9-11-10-8-5-14-7-4-2-1-3-6(7)12(8)9/h1-4H,5H2,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,5,4,8,11,9,10,7,12,14/rA:14nCCCCCCNCNNCOCS/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7s10;d11;s8;s4s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7N3OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.89002
Area:338.265
Solvation:-1.56662
Coulombic:-30.0337
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:205.238
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.72
LogP (Chemaxon):1.57

Name Annotations

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Descriptor Annotations

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