Chemical ID: 6391340

C1CC(OC1)CNC(=O)CCCCl
Chemical ID:
6391340
Name [?]:
4-chloro-N-(tetrahydrofuran-2-ylmethyl)butanamide
SMILES [?]:
C1CC(OC1)CNC(=O)CCCCl
InChi [?]:
InChI=1/C9H16ClNO2/c10-5-1-4-9(12)11-7-8-3-2-6-13-8/h8H,1-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:11,1,2,10,12,5,6,3,8,13,7,9,4/rA:13cCCCOCCNCOCCCCl/rB:s1;s2;s3;s1s4;s3;s6;s7;d8;s8;s10;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16ClNO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.70882
Area:404.2
Solvation:-3.39617
Coulombic:-27.9414
Bond Count [?]
All:13
Single:12
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:205.682
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.02
LogP (Chemaxon):0.47

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