Chemical ID: 4089644

Cc1cccc(c1O)C(=O)N2C(C3CCCCC3=N2)(C(F)(F)F)O
Chemical ID:
4089644
Name [?]:
(2-hydroxy-3-methyl-phenyl)-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-methanone
SMILES [?]:
Cc1cccc(c1O)C(=O)N2C(C3CCCCC3=N2)(C(F)(F)F)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H17F3N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:8.28909
Area:468.767
Solvation:-3.43008
Coulombic:-69.9416
Bond Count [?]
All:26
Single:21
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.313
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.1
LogP (Chemaxon):5.4

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