Chemical ID: 4624713

COc1ccccc1C(=O)N2C(C3CCCCC3=N2)(C(F)(F)F)O
Chemical ID:
4624713
Name [?]:
[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(2-methoxyphenyl)-methanone
SMILES [?]:
COc1ccccc1C(=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:7.6038
Area:472.024
Solvation:-4.19679
Coulombic:-60.866
Bond Count [?]
All:26
Single:21
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:342.313
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.98
LogP (Chemaxon):4.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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