Chemical ID: 4254163

COc1cccc(c1)NC(=O)CCl
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

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Descriptor Annotations

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