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Chemical ID: 6836505
Chemical ID:
6836505
Name [?]:
N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILES [?]:
CCC(=O)Nc1nc(ns1)c2ccccc2
InChi [?]:
InChI=1/C11H11N3OS/c1-2-9(15)12-11-13-10(14-16-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,12,16,11,3,8,6,5,7,9,4,10/E:(4,5)(6,7)/rA:16nCCCONCNCNSCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N3OS |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43437 |
Area: | 414.772 |
Solvation: | -1.93492 |
Coulombic: | -31.8617 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.291 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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