Chemical ID: 4249868

c1ccc2c(c1)nc3c(n2)Sc4nncn4N3
Chemical ID:
4249868
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3c(n2)Sc4nncn4N3
InChi [?]:
InChI=1/C10H6N6S/c1-2-4-7-6(3-1)12-8-9(13-7)17-10-14-11-5-16(10)15-8/h1-5H,(H,12,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,5,4,8,9,12,14,7,10,13,17,16,11/rA:17nCCCCCCNCCNSCNNCNN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;s12s15;s8s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N6S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.80711
Area:383.549
Solvation:-1.78161
Coulombic:-29.9056
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:242.261
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.78
LogP (Chemaxon):1.76

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Experimental Annotations

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Descriptor Annotations

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