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Chemical ID: 5782189
Chemical ID:
5782189
Name [?]:
N-benzylideneamino-4-(p-tolyl)-3H-thiazol-2-imine
SMILES [?]:
Cc1ccc(cc1)c2csc(=NN=Cc3ccccc3)[nH]2
InChi [?]:
InChI=1/C17H15N3S/c1-13-7-9-15(10-8-13)16-12-21-17(19-16)20-18-11-14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,3,7,4,6,14,9,2,15,5,8,11,13,21,12,10/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCCSCNNCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;w11;s12;w13;s14;s15;d16;s17;d18;d15s19;s8s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7451 |
Area: | 503.456 |
Solvation: | -1.84132 |
Coulombic: | -19.0809 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.25 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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