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Chemical ID: 6347075
Chemical ID:
6347075
Name [?]:
N-(4-acetylphenyl)pentanamide
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1)C(=O)C
InChi [?]:
InChI=1/C13H17NO2/c1-3-4-5-13(16)14-12-8-6-11(7-9-12)10(2)15/h6-9H,3-5H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,4,10,12,9,13,14,11,8,5,7,15,6/E:(6,7)(8,9)/rA:16nCCCCCONCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.87346 |
Area: | 430.031 |
Solvation: | -2.8773 |
Coulombic: | -27.7618 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 219.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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