Chemical ID: 5261512

COC(=O)CCCc1ccc(=O)n2c1NCCC2
Chemical ID:
5261512
Name [?]:
methyl 4-(10-oxo-1,5-diazabicyclo[4.4.0]deca-6,8-dien-7-yl)butanoate
SMILES [?]:
COC(=O)CCCc1ccc(=O)n2c1NCCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H18N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.87613
Area:441.485
Solvation:-3.161
Coulombic:-44.6514
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:250.294
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.51
LogP (Chemaxon):0.63

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