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Chemical ID: 6661388
Chemical ID:
6661388
Name [?]:
N-cyclohexyl-1-hydroxy-naphthalene-2-carboxamide
SMILES [?]:
c1ccc2c(c1)ccc(c2O)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C17H19NO2/c19-16-14-9-5-4-6-12(14)10-11-15(16)17(20)18-13-7-2-1-3-8-13/h4-6,9-11,13,19H,1-3,7-8H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:18,17,19,1,2,6,16,20,3,7,8,5,15,4,9,10,12,14,11,13/E:(2,3)(7,8)/rA:20nCCCCCCCCCCOCONCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s9;d12;s12;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68236 |
Area: | 457.681 |
Solvation: | -2.75967 |
Coulombic: | -39.7073 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.54 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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