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Chemical ID: 6471170
Chemical ID:
6471170
Name [?]:
N-(4-ethoxyphenyl)cyclobutanecarboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C2CCC2
InChi [?]:
InChI=1/C13H17NO2/c1-2-16-12-8-6-11(7-9-12)14-13(15)10-4-3-5-10/h6-10H,2-5H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,16,6,8,5,9,13,7,4,11,10,12,3/E:(4,5)(6,7)(8,9)/rA:16nCCOCCCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s13s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.49372 |
Area: | 414.51 |
Solvation: | -2.86904 |
Coulombic: | -27.8293 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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