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Chemical ID: 7261626
Chemical ID:
7261626
Name [?]:
2-(4-chloro-2,6-dimethyl-phenoxy)-N-isopropyl-acetamide
SMILES [?]:
Cc1cc(cc(c1OCC(=O)NC(C)C)C)Cl
InChi [?]:
InChI=1/C13H18ClNO2/c1-8(2)15-12(16)7-17-13-9(3)5-11(14)6-10(13)4/h5-6,8H,7H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:14,15,1,16,3,5,9,13,2,6,4,10,7,17,12,11,8/E:(1,2)(3,4)(5,6)(9,10)/rA:17nCCCCCCCOCCONCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s13;s6;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClNO2 |
All Atoms: | 35 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25568 |
Area: | 460.731 |
Solvation: | -3.26261 |
Coulombic: | -29.3676 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.74 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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