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Chemical ID: 6598154
Chemical ID:
6598154
Name [?]:
2-(4-cyanophenoxy)-N-cyclopentyl-acetamide
SMILES [?]:
c1cc(ccc1C#N)OCC(=O)NC2CCCC2
InChi [?]:
InChI=1/C14H16N2O2/c15-9-11-5-7-13(8-6-11)18-10-14(17)16-12-3-1-2-4-12/h5-8,12H,1-4,10H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:16,17,15,18,1,5,2,4,7,10,6,14,3,11,8,13,12,9/E:(1,2)(3,4)(5,6)(7,8)/rA:18nCCCCCCCNOCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;s10;d11;s11;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.43589 |
Area: | 463.757 |
Solvation: | -4.15804 |
Coulombic: | -31.8138 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 244.289 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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