Chemical ID: 4120778

c1ccc(cc1)CN2CCC(=O)NCC2
Chemical ID:
4120778
Name [?]:
1-benzyl-1,4-diazepan-5-one
SMILES [?]:
c1ccc(cc1)CN2CCC(=O)NCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H16N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.22512
Area:377.844
Solvation:-2.22098
Coulombic:-26.5204
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.268
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.89
LogP (Chemaxon):0.86

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