Chemical ID: 6350571

c1ccnc(c1)CNC(=O)CCCl
Chemical ID:
6350571
Name [?]:
3-chloro-N-(2-pyridylmethyl)propanamide
SMILES [?]:
c1ccnc(c1)CNC(=O)CCCl
InChi [?]:
InChI=1/C9H11ClN2O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4-5,7H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,3,7,5,9,13,4,8,10/rA:13nCCCNCCCNCOCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11ClN2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.2953
Area:389.731
Solvation:-2.44797
Coulombic:-25.2338
Bond Count [?]
All:13
Single:9
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:198.649
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.85
LogP (Chemaxon):0.6

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