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Chemical ID: 6359478
Chemical ID:
6359478
Name [?]:
N-[2-(3-chlorophenyl)ethyl]acetamide
SMILES [?]:
CC(=O)NCCc1cccc(c1)Cl
InChi [?]:
InChI=1/C10H12ClNO/c1-8(13)12-6-5-9-3-2-4-10(11)7-9/h2-4,7H,5-6H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,6,5,12,2,7,11,13,4,3/rA:13nCCONCCCCCCCCCl/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7827 |
Area: | 389.776 |
Solvation: | -1.9617 |
Coulombic: | -21.4151 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 197.661 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.2 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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