Chemical ID: 4446766

c1ccc(cc1)c2cc(=O)n([nH]2)c3ccc(cc3)F
Chemical ID:
4446766
Name [?]:
2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one
SMILES [?]:
c1ccc(cc1)c2cc(=O)n([nH]2)c3ccc(cc3)F
InChi [?]:
InChI=1/C15H11FN2O/c16-12-6-8-13(9-7-12)18-15(19)10-14(17-18)11-4-2-1-3-5-11/h1-10,17H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,15,17,14,18,8,4,16,13,7,9,19,12,11,10/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCCCCCCCCONNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s7s11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11FN2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.85879
Area:429.22
Solvation:-2.87171
Coulombic:-27.6333
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.259
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.56
LogP (Chemaxon):2.92

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