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Chemical ID: 4916356
Chemical ID:
4916356
Name [?]:
None
SMILES [?]:
CSc1c2c3c(c(nnn3)Cl)sc2ns1
InChi [?]:
InChI=1/C7H3ClN4S3/c1-13-7-2-3-4(5(8)10-12-9-3)14-6(2)11-15-7/h1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,6,7,13,3,11,10,8,14,9,2,12,15/rA:15nCSCCCCCNNNClSCNS/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s7;s6;s4s12;d13;s3s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H3ClN4S3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77058 |
Area: | 405.868 |
Solvation: | -1.37611 |
Coulombic: | -7.39112 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 274.776 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.2 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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