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Chemical ID: 4502281
Chemical ID:
4502281
Name [?]:
3-cyclohexyl-N-(4-hydroxyphenyl)-propanamide
SMILES [?]:
c1cc(ccc1NC(=O)CCC2CCCCC2)O
InChi [?]:
InChI=1/C15H21NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h7-10,12,17H,1-6,11H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:15,14,16,13,17,11,1,5,2,4,10,12,6,3,8,7,18,9/E:(2,3)(4,5)(7,8)(9,10)/rA:18nCCCCCCNCOCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74994 |
Area: | 453.464 |
Solvation: | -2.58666 |
Coulombic: | -37.0499 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.333 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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