Chemical ID: 6228621

COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
Chemical ID:
6228621
Name [?]:
(5-amino-1-methylsulfonyl-pyrazol-3-yl) 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H13N3O5S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.06607
Area:491.286
Solvation:-5.21609
Coulombic:-47.6925
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.315
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.25
LogP (Chemaxon):1.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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