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Chemical ID: 6157292
Chemical ID:
6157292
Name [?]:
3-cyclohexyl-N-(4-methylthiazol-2-yl)-propanamide
SMILES [?]:
Cc1csc(n1)NC(=O)CCC2CCCCC2
InChi [?]:
InChI=1/C13H20N2OS/c1-10-9-17-13(14-10)15-12(16)8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,11,10,3,2,12,8,5,6,7,9,4/E:(3,4)(5,6)/rA:17nCCCSCNNCOCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05061 |
Area: | 448.413 |
Solvation: | -2.15973 |
Coulombic: | -25.8982 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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