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Chemical ID: 3992033
Chemical ID:
3992033
Name [?]:
6-chloro-3-methyl-benzothiazol-2-imine
SMILES [?]:
Cn1c2ccc(cc2sc1=N)Cl
InChi [?]:
InChI=1/C8H7ClN2S/c1-11-6-3-2-5(9)4-7(6)12-8(11)10/h2-4,10H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,7,6,3,8,10,12,11,2,9/rA:12nCNCCCCCCSCNCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;w10;s6;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7ClN2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.3968 |
Area: | 345.613 |
Solvation: | -1.24353 |
Coulombic: | -19.7474 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 1 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 198.673 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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