Chemical ID: 4179408

COc1ccc(c(c1)c2cc([nH]n2)c3ccc(cc3)Cl)O
Chemical ID:
4179408
Name [?]:
2-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methoxy-phenol
SMILES [?]:
COc1ccc(c(c1)c2cc([nH]n2)c3ccc(cc3)Cl)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13ClN2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.58347
Area:495.4
Solvation:-3.80154
Coulombic:-34.5798
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.739
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.73
LogP (Chemaxon):3.89

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