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Chemical ID: 6397653
Chemical ID:
6397653
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-isopropyl-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NC(C)C)Cl
InChi [?]:
InChI=1/C12H16ClNO2/c1-8(2)14-12(15)7-16-11-5-4-10(13)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:14,15,1,5,6,3,9,13,2,4,7,10,16,12,11,8/E:(1,2)/rA:16nCCCCCCCOCCONCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s13;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50682 |
Area: | 442.53 |
Solvation: | -3.55644 |
Coulombic: | -28.9434 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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