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Chemical ID: 6910077
Chemical ID:
6910077
Name [?]:
4-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-benzamide
SMILES [?]:
c1ccc(cc1)c2nc(sn2)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H10ClN3OS/c16-12-8-6-11(7-9-12)14(20)18-15-17-13(19-21-15)10-4-2-1-3-5-10/h1-9H,(H,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,4,15,18,7,13,9,21,8,12,11,14,10/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCNCSNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClN3OS |
All Atoms: | 31 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8302 |
Area: | 510.216 |
Solvation: | -1.92523 |
Coulombic: | -34.9161 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 315.778 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.99 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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