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Chemical ID: 4118304
Chemical ID:
4118304
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)n3cc(nc3s2)CO
InChi [?]:
InChI=1/C10H8N2OS/c13-6-7-5-12-8-3-1-2-4-9(8)14-10(12)11-7/h1-5,13H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,13,9,5,4,11,10,7,14,12/rA:14nCCCCCCNCCNCSCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s4s11;s9;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2OS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.9598 |
Area: | 359.12 |
Solvation: | -2.0182 |
Coulombic: | -30.1968 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 204.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.53 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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