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Chemical ID: 4150348
Chemical ID:
4150348
Name [?]:
phenyl thiazol-2-ylaminoformate
SMILES [?]:
c1ccc(cc1)OC(=O)Nc2nccs2
InChi [?]:
InChI=1/C10H8N2O2S/c13-10(12-9-11-6-7-15-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,4,11,8,12,10,9,7,15/E:(2,3)(4,5)/rA:15nCCCCCCOCONCNCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2O2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55813 |
Area: | 392.265 |
Solvation: | -2.2485 |
Coulombic: | -38.9044 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.59 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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