Chemical ID: 4619009

Cc1c(c(n(n1)Cc2ccc(cc2)C(=O)O)C)Cl
Chemical ID:
4619009
Name [?]:
4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid
SMILES [?]:
Cc1c(c(n(n1)Cc2ccc(cc2)C(=O)O)C)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H13ClN2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.81512
Area:449.448
Solvation:-2.42109
Coulombic:-33.0412
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.707
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.84
LogP (Chemaxon):2.09

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