Chemical ID: 3992033

Cn1c2ccc(cc2sc1=N)Cl
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

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Descriptor Annotations

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