(E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-(4-fluorophenyl)prop-2-en-1-one

Formula:C24H16N2OBrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-(4-fluorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-(4-fluorophenyl)prop-2-en-1-one
MolecularFormula	C24H16N2OBrF
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c(cc1)ccc1F
InChI	InChI=1S/C24H16BrFN2O/c25-20-6-4-5-18(15-20)24-19(16-28(27-24)22-7-2-1-3-8-22)11-14-23(29)17-9-12-21(26)13-10-17/h1-16H
InChIK	AENRVMIGPUKJTE-UHFFFAOYSA-N
TotalMolweight	447.306
Molweight	447.306
MonoisotopicMass	446.043002
CLogP	5.0488
CLogS	-6.501
H Acceptors	3
TotalSurfaceArea	309.73
Relative PSA	0.0997
PolarSurfaceArea	34.89
Druglikeness	0.24234
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - (E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-(4-fluorophenyl)prop-2-en-1-one | 2 - (E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-(4-fluorophenyl)prop-2-en-1-one

Request More Details | (E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-(4-fluorophenyl)prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments