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Chemical ID: 7347728
Chemical ID:
7347728
Name [?]:
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
SMILES [?]:
COc1cccc(c1)CNC(=O)CCl
InChi [?]:
InChI=1/C10H12ClNO2/c1-14-9-4-2-3-8(5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,13,9,7,3,11,14,10,12,2/rA:14nCOCCCCCCCNCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO2 |
All Atoms: | 26 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.30111 |
Area: | 402.248 |
Solvation: | -3.75509 |
Coulombic: | -28.1293 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 213.661 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.57 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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