Chemical ID: 6336044

c1ccc(cc1)CC(=O)NCc2cccnc2
Chemical ID:
6336044
Name [?]:
2-phenyl-N-(3-pyridylmethyl)acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)NCc2cccnc2
InChi [?]:
InChI=1/C14H14N2O/c17-14(9-12-5-2-1-3-6-12)16-11-13-7-4-8-15-10-13/h1-8,10H,9,11H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,13,15,7,17,11,4,12,8,16,10,9/E:(2,3)(5,6)/rA:17nCCCCCCCCONCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.82781
Area:432.082
Solvation:-2.97423
Coulombic:-26.1134
Bond Count [?]
All:18
Single:11
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:226.274
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.7
LogP (Chemaxon):1.52

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