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Chemical ID: 6775493
Chemical ID:
6775493
Name [?]:
3-(2-oxo-4-thioxo-9-thia-3,5-diazabicyclo[4.3.0]nona-7,10-dien-3-yl)propanehydrazide
SMILES [?]:
c1csc2c1[nH]c(=S)n(c2=O)CCC(=O)NN
InChi [?]:
InChI=1/C9H10N4O2S2/c10-12-6(14)1-3-13-8(15)7-5(2-4-17-7)11-9(13)16/h2,4H,1,3,10H2,(H,11,16)(H,12,14)
InChi Info:
AuxInfo=1/1/N:13,1,12,2,5,14,4,10,7,17,6,16,9,15,11,8,3/rA:17nCCSCCNCSNCOCCCONN/rB:d1;s2;s3;s1d4;s5;s6;d7;s7;s4s9;d10;s9;s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10N4O2S2 |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.46251 |
Area: | 435.517 |
Solvation: | -3.42542 |
Coulombic: | -54.8111 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 270.333 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -0.8 |
LogP (Chemaxon): | 1.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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