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Chemical ID: 6356153
Chemical ID:
6356153
Name [?]:
N-hexyl-5-methyl-3-phenyl-isoxazole-4-carboxamide
SMILES [?]:
CCCCCCNC(=O)c1c(onc1c2ccccc2)C
InChi [?]:
InChI=1/C17H22N2O2/c1-3-4-5-9-12-18-17(20)15-13(2)21-19-16(15)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,4,18,17,19,5,16,20,6,11,15,10,14,8,7,13,9,12/E:(7,8)(10,11)/rA:21nCCCCCCNCOCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;s12;s10d13;s14;s15;d16;s17;d18;d15s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8774 |
Area: | 528.049 |
Solvation: | -2.3238 |
Coulombic: | -27.7011 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 286.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.65 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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