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Chemical ID: 5212946
Chemical ID:
5212946
Name [?]:
None
SMILES [?]:
Cc1cc(=O)n2c3ccc(cc3sc2n1)Cl
InChi [?]:
InChI=1/C11H7ClN2OS/c1-6-4-10(15)14-8-3-2-7(12)5-9(8)16-11(14)13-6/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,3,11,2,10,7,12,4,14,16,15,6,5,13/rA:16nCCCCONCCCCCCSCNCl/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s6s13;s2d14;s10;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7ClN2OS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51356 |
Area: | 399.206 |
Solvation: | -1.46658 |
Coulombic: | -22.5754 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 250.705 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.09 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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