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Chemical ID: 4964123
Chemical ID:
4964123
Name [?]:
N-[2-(3,4-dichlorophenyl)ethyl]acetamide
SMILES [?]:
CC(=O)NCCc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C10H11Cl2NO/c1-7(14)13-5-4-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,9,6,5,12,2,7,10,11,14,13,4,3/rA:14nCCONCCCCCCCCClCl/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11Cl2NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41032 |
Area: | 417.686 |
Solvation: | -2.03182 |
Coulombic: | -21.5052 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.106 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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