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Chemical ID: 4954869
Chemical ID:
4954869
Name [?]:
4-(2-chlorophenyl)-3H-thiazol-2-imine
SMILES [?]:
c1ccc(c(c1)c2csc(=N)[nH]2)Cl
InChi [?]:
InChI=1/C9H7ClN2S/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,4,7,10,13,11,12,9/rA:13nCCCCCCCCSCNNCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;w10;s7s10;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7ClN2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.79116 |
Area: | 360.397 |
Solvation: | -1.21876 |
Coulombic: | -25.3997 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 210.684 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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