Chemical ID: 6344877

COc1ccc(c(c1)OC)NC(=O)CCCCl
Chemical ID:
6344877
Name [?]:
4-chloro-N-(2,4-dimethoxyphenyl)-butanamide
SMILES [?]:
COc1ccc(c(c1)OC)NC(=O)CCCCl
InChi [?]:
InChI=1/C12H16ClNO3/c1-16-9-5-6-10(11(8-9)17-2)14-12(15)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,15,14,4,5,16,8,3,6,7,12,17,11,13,2,9/rA:17nCOCCCCCCOCNCOCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.25182
Area:458.567
Solvation:-4.21236
Coulombic:-34.5496
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:257.713
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.06
LogP (Chemaxon):1.89

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