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Chemical ID: 3997968
Chemical ID:
3997968
Name [?]:
2-chloro-N-(2-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccccc1NC(=O)CCl
InChi [?]:
InChI=1/C10H12ClNO/c1-2-8-5-3-4-6-9(8)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,7,12,3,8,10,13,9,11/rA:13nCCCCCCCCNCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.91772 |
Area: | 371.579 |
Solvation: | -2.37176 |
Coulombic: | -20.8801 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.661 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.2 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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