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Chemical ID: 4696423
Chemical ID:
4696423
Name [?]:
2-chloro-N-ethyl-N-phenyl-acetamide
SMILES [?]:
CCN(c1ccccc1)C(=O)CCl
InChi [?]:
InChI=1/C10H12ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,9,12,4,10,13,3,11/E:(4,5)(6,7)/rA:13nCCNCCCCCCCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.68316 |
Area: | 369.66 |
Solvation: | -2.55834 |
Coulombic: | -16.2706 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.661 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.08 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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