Chemical ID: 6126675

c1ccc2c(c1)n3c(c(nn3)C(=O)N)sc4n2nnc4C(=O)O
Chemical ID:
6126675
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)n3c(c(nn3)C(=O)N)sc4n2nnc4C(=O)O
InChi [?]:
InChI=1/C12H7N7O3S/c13-9(20)7-10-18(16-14-7)5-3-1-2-4-6(5)19-11(23-10)8(12(21)22)15-17-19/h1-4H,(H2,13,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,9,20,12,8,16,21,14,10,19,11,18,7,17,13,22,23,15/E:(21,22)/rA:23nCCCCCCNCCNNCONSCNNNCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s9;d12;s12;s8;s15;s4s16;s17;d18;d16s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7N7O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.7113
Area:468.817
Solvation:-3.00913
Coulombic:-64.0936
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:329.295
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.37
LogP (Chemaxon):1.76

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Descriptor Annotations

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