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Chemical ID: 6228631
Chemical ID:
6228631
Name [?]:
5-oxo-N-propyl-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3-diene-4-carboxamide
SMILES [?]:
CCCNC(=O)c1cnc2n(c1=O)CCS2
InChi [?]:
InChI=1/C10H13N3O2S/c1-2-3-11-8(14)7-6-12-10-13(9(7)15)4-5-16-10/h6H,2-5H2,1H3,(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,14,15,8,7,5,12,10,4,9,11,6,13,16/rA:16nCCCNCOCCNCNCOCCS/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s10;s7s11;d12;s11;s14;s10s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N3O2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21203 |
Area: | 410.858 |
Solvation: | -2.05943 |
Coulombic: | -43.6103 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.25 |
LogP (Chemaxon): | 0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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