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Chemical ID: 6216260
Chemical ID:
6216260
Name [?]:
2-chloro-N-[4-(4-chlorophenyl)thiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C16H10Cl2N2OS/c17-11-7-5-10(6-8-11)14-9-22-16(19-14)20-15(21)12-3-1-2-4-13(12)18/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,20,17,19,13,15,18,5,4,12,7,10,21,22,11,9,8,14/E:(5,6)(7,8)/rA:22nCCCCCCCONCNCCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8508 |
Area: | 536.063 |
Solvation: | -2.55075 |
Coulombic: | -29.655 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 349.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.07 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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