Chemical ID: 6637914

Cc1cc(c(c(c1)C)CNC(=O)CCl)C
Chemical ID:
6637914
Name [?]:
2-chloro-N-[(2,4,6-trimethylphenyl)methyl]acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)CNC(=O)CCl)C
InChi [?]:
InChI=1/C12H16ClNO/c1-8-4-9(2)11(10(3)5-8)7-14-12(15)6-13/h4-5H,6-7H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,15,7,3,13,9,2,6,4,5,11,14,10,12/E:(2,3)(4,5)(9,10)/rA:15nCCCCCCCCCNCOCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.14924
Area:420.21
Solvation:-2.35601
Coulombic:-21.2654
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:225.714
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.97
LogP (Chemaxon):2.98

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue