Chemical ID: 4626277

Cc1c(c(n(n1)Cc2ccc(cc2)C(=O)O)C)Br
Chemical ID:
4626277
Name [?]:
4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid
SMILES [?]:
Cc1c(c(n(n1)Cc2ccc(cc2)C(=O)O)C)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H13BrN2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.69508
Area:446.215
Solvation:-2.46029
Coulombic:-32.442
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.159
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.02
LogP (Chemaxon):2.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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