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Chemical ID: 5248074
Chemical ID:
5248074
Name [?]:
5-chloro-2-phenyl-benzothiazole
SMILES [?]:
c1ccc(cc1)c2nc3cc(ccc3s2)Cl
InChi [?]:
InChI=1/C13H8ClNS/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,13,10,4,11,9,14,7,16,8,15/E:(2,3)(4,5)/rA:16nCCCCCCCNCCCCCCSCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8ClNS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50212 |
Area: | 417.614 |
Solvation: | -0.938233 |
Coulombic: | -9.32616 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 245.728 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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