Chemical ID: 5326693

c1[nH]c(nn1)Sc2c3c4c(sc3ncn2)CCCC4
Chemical ID:
5326693
Name [?]:
None
SMILES [?]:
c1[nH]c(nn1)Sc2c3c4c(sc3ncn2)CCCC4
InChi [?]:
InChI=1/C12H11N5S2/c1-2-4-8-7(3-1)9-10(18-8)13-5-14-11(9)19-12-15-6-16-17-12/h5-6H,1-4H2,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,14,1,9,10,8,12,7,3,13,15,2,5,4,11,6/rA:19nCNCNNSCCCCSCNCNCCCC/rB:s1;s2;d3;d1s4;s3;s6;s7;s8;d9;s10;d8s11;s12;d13;d7s14;s10;s16;s17;s9s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N5S2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.72048
Area:435.426
Solvation:-2.16517
Coulombic:-26.4546
Bond Count [?]
All:22
Single:16
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:289.381
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.29
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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