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Chemical ID: 4143677
Chemical ID:
4143677
Name [?]:
2-(3-chlorophenoxy)-N-(2-dimethylaminoethyl)acetamide
SMILES [?]:
CN(C)CCNC(=O)COc1cccc(c1)Cl
InChi [?]:
InChI=1/C12H17ClN2O2/c1-15(2)7-6-14-12(16)9-17-11-5-3-4-10(13)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,12,5,4,16,9,15,11,7,17,6,2,8,10/E:(1,2)/rA:17nCNCCCNCOCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17ClN2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59846 |
Area: | 474.864 |
Solvation: | -4.27315 |
Coulombic: | -33.5861 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 256.728 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.58 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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