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Chemical ID: 6669913
Chemical ID:
6669913
Name [?]:
N-(5-acetyl-2-methyl-phenyl)acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C)C(=O)C
InChi [?]:
InChI=1/C11H13NO2/c1-7-4-5-10(8(2)13)6-11(7)12-9(3)14/h4-6H,1-3H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,14,11,3,4,6,2,12,9,5,7,8,13,10/rA:14nCCCCCCCNCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s5;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.96371 |
Area: | 369.249 |
Solvation: | -3.26752 |
Coulombic: | -26.0041 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.34 |
LogP (Chemaxon): | 0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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