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Chemical ID: 4254163
Chemical ID:
4254163
Name [?]:
2-chloro-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
COc1cccc(c1)NC(=O)CCl
InChi [?]:
InChI=1/C9H10ClNO2/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,12,7,3,10,13,9,11,2/rA:13nCOCCCCCCNCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10ClNO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.52823 |
Area: | 367.269 |
Solvation: | -3.6535 |
Coulombic: | -26.9196 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.634 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.43 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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