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Chemical ID: 4913926
Chemical ID:
4913926
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-n3cnnc3CCS2
InChi [?]:
InChI=1/C10H9N3S/c1-2-4-9-8(3-1)13-7-11-12-10(13)5-6-14-9/h1-4,7H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,13,8,5,4,11,9,10,7,14/rA:14nCCCCCCNCNNCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s11;s12;s4s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.66062 |
Area: | 341.939 |
Solvation: | -1.88785 |
Coulombic: | -10.3004 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 203.265 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.45 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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