Chemical ID: 5799033

COc1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3)F
Chemical ID:
5799033
Name [?]:
[4-[(4-fluorobenzoyl)aminoiminomethyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
COc1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H19FN2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.31151
Area:636.224
Solvation:-6.59408
Coulombic:-50.2259
Bond Count [?]
All:33
Single:20
Double:13
Rotors:9
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:418.417
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.84
LogP (Chemaxon):4.95

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