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Chemical ID: 7027149
Chemical ID:
7027149
Name [?]:
N-[(3-chlorophenyl)methyleneamino]-4-(p-tolyl)thiazol-2-amine
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NN=Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C17H14ClN3S/c1-12-5-7-14(8-6-12)16-11-22-17(20-16)21-19-10-13-3-2-4-15(18)9-13/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,3,7,4,6,21,15,9,2,16,5,20,8,11,22,14,12,13,10/E:(5,6)(7,8)/rA:22nCCCCCCCCCSCNNNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14ClN3S |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.611 |
Area: | 552.903 |
Solvation: | -2.21162 |
Coulombic: | -19.1364 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.832 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.24 |
LogP (Chemaxon): | 6.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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