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Chemical ID: 7309837
Chemical ID:
7309837
Name [?]:
N-cyclohexyl-2-(3,4-dichlorophenoxy)-acetamide
SMILES [?]:
c1cc(c(cc1OCC(=O)NC2CCCCC2)Cl)Cl
InChi [?]:
InChI=1/C14H17Cl2NO2/c15-12-7-6-11(8-13(12)16)19-9-14(18)17-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:15,14,16,13,17,1,2,5,8,12,6,3,4,9,19,18,11,10,7/E:(2,3)(4,5)/rA:19nCCCCCCOCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17Cl2NO2 |
All Atoms: | 36 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73998 |
Area: | 498.852 |
Solvation: | -3.73132 |
Coulombic: | -29.5328 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.196 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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