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Chemical ID: 6423323
Chemical ID:
6423323
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Nc3cc(nnc3S2)Cl
InChi [?]:
InChI=1/C10H6ClN3S/c11-9-5-7-10(14-13-9)15-8-4-2-1-3-6(8)12-7/h1-5,12H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,9,5,8,4,10,13,15,7,11,12,14/rA:15nCCCCCCNCCCNNCSCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6ClN3S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1356 |
Area: | 379.501 |
Solvation: | -1.35191 |
Coulombic: | -17.5284 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 235.694 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.5 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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