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Chemical ID: 5576761
Chemical ID:
5576761
Name [?]:
N-(5-chloro-2-methyl-phenyl)acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C)Cl
InChi [?]:
InChI=1/C9H10ClNO/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,3,4,6,2,9,5,7,12,8,10/rA:12nCCCCCCCNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s5;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10ClNO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.89807 |
Area: | 347.229 |
Solvation: | -1.78266 |
Coulombic: | -20.0669 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 183.635 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.12 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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