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Chemical ID: 7135025
Chemical ID:
7135025
Name [?]:
2-(4-chlorophenyl)amino-5-[(3-chlorophenyl)methylene]thiazol-4-one
SMILES [?]:
c1cc(cc(c1)Cl)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H10Cl2N2OS/c17-11-4-6-13(7-5-11)19-16-20-15(21)14(22-16)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,20,17,21,4,8,3,19,5,16,9,10,13,22,7,15,12,11,14/E:(4,5)(6,7)/rA:22nCCCCCCClCCCONCSNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;d12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2OS |
All Atoms: | 32 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6529 |
Area: | 537.999 |
Solvation: | -1.79704 |
Coulombic: | -31.4069 |
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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