Chemical ID: 4911018

c1c2n3c(cc(=N)nc3SC2)[nH]c1=O
Chemical ID:
4911018
Name [?]:
None
SMILES [?]:
c1c2n3c(cc(=N)nc3SC2)[nH]c1=O
InChi [?]:
InChI=1/C8H6N4OS/c9-5-2-6-11-7(13)1-4-3-14-8(10-5)12(4)6/h1-2,9H,3H2,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,5,11,2,6,4,13,9,7,8,12,3,14,10/rA:14nCCNCCCNNCSCNCO/rB:d1;s2;s3;d4;s5;w6;s6;s3d8;s9;s2s10;s4;s1s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N4OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.09803
Area:341.853
Solvation:-2.4483
Coulombic:-42.8905
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:206.226
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.53
LogP (Chemaxon):0.84

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Descriptor Annotations

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