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Chemical ID: 7434734
Chemical ID:
7434734
Name [?]:
8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-4-amine
SMILES [?]:
c1cc2c(cc1N)N=S=N2
InChi [?]:
InChI=1/C6H5N3S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,5,6,3,4,7,10,8,9/CRV:10.4/rA:10nCCCCCCNNSN/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3d9;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H5N3S |
All Atoms: | 15 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.21114 |
Area: | 287.843 |
Solvation: | -0.984941 |
Coulombic: | -24.1507 |
Bond Count [?]
All: | 11 |
Single: | 6 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 151.19 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.07 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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