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Chemical ID: 4346222
Chemical ID:
4346222
Name [?]:
5-benzylidene-2-(2,3-dichlorophenyl)amino-thiazol-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C16H10Cl2N2OS/c17-11-7-4-8-12(14(11)18)19-16-20-15(21)13(22-16)9-10-5-2-1-3-6-10/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,3,5,18,16,7,4,19,15,8,20,9,12,22,21,14,11,10,13/E:(2,3)(5,6)/rA:22nCCCCCCCCCONCSNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;d11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3518 |
Area: | 523.036 |
Solvation: | -1.72413 |
Coulombic: | -31.9204 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 349.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.6 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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