Chemical ID: 4783241

c1cc(ccc1c2cc(n(n2)c3ccc(cc3)I)NC(=O)C4CCC4)Cl
Chemical ID:
4783241
Name [?]:
N-[5-(4-chlorophenyl)-2-(4-iodophenyl)-pyrazol-3-yl]cyclobutanecarboxamide
SMILES [?]:
c1cc(ccc1c2cc(n(n2)c3ccc(cc3)I)NC(=O)C4CCC4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17ClIN3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.1995
Area:620.024
Solvation:-2.30112
Coulombic:-28.1606
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:477.726
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.23
LogP (Chemaxon):5.95

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