Chemical ID: 5162151

c1ccc(cc1)C2=NCCNC(=O)C2
Chemical ID:
5162151
Name [?]:
7-phenyl-2,3,4,6-tetrahydro-1,4-diazepin-5-one
SMILES [?]:
c1ccc(cc1)C2=NCCNC(=O)C2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H12N2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.55202
Area:353.279
Solvation:-2.27996
Coulombic:-26.7309
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:188.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.85
LogP (Chemaxon):0.84

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