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

Formula:C24H17N2OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
MolecularFormula	C24H17N2OBr
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccccc1
InChI	InChI=1S/C24H17BrN2O/c25-21-11-7-10-19(16-21)24-20(14-15-23(28)18-8-3-1-4-9-18)17-27(26-24)22-12-5-2-6-13-22/h1-17H
InChIK	AHIQZHNJTIRWLG-UHFFFAOYSA-N
TotalMolweight	429.316
Molweight	429.316
MonoisotopicMass	428.052424
CLogP	4.948
CLogS	-6.187
H Acceptors	3
TotalSurfaceArea	303.38
Relative PSA	0.10179
PolarSurfaceArea	34.89
Druglikeness	1.5823
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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