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Chemical ID: 4203830
Chemical ID:
4203830
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N,N-diethyl-acetamide
SMILES [?]:
CCN(CC)C(=O)COc1ccc(c(c1)C)Cl
InChi [?]:
InChI=1/C13H18ClNO2/c1-4-15(5-2)13(16)9-17-11-6-7-12(14)10(3)8-11/h6-8H,4-5,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,16,2,4,11,12,15,8,14,10,13,6,17,3,7,9/E:(1,2)(4,5)/rA:17nCCNCCCOCOCCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.81926 |
Area: | 456.769 |
Solvation: | -3.59996 |
Coulombic: | -24.4709 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.74 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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