(E)-1-(4-bromophenyl)-3-(3-naphthalen-1-yl-1-phenylpyrazol-4-yl)prop-2-en-1-one

Formula:C28H19N2OBr Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-1-(4-bromophenyl)-3-(3-naphthalen-1-yl-1-phenylpyrazol-4-yl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-bromophenyl)-3-(3-naphthalen-1-yl-1-phenylpyrazol-4-yl)prop-2-en-1-one
MolecularFormula	C28H19N2OBr
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c(cc1)ccc1Br
InChI	InChI=1S/C28H19BrN2O/c29-23-16-13-21(14-17-23)27(32)18-15-22-19-31(24-9-2-1-3-10-24)30-28(22)26-12-6-8-20-7-4-5-11-25(20)26/h1-19H
InChIK	TWRVTABSDZOXKW-UHFFFAOYSA-N
TotalMolweight	479.376
Molweight	479.376
MonoisotopicMass	478.068074
CLogP	6.1424
CLogS	-7.793
H Acceptors	3
TotalSurfaceArea	337.98
Relative PSA	0.091366
PolarSurfaceArea	34.89
Druglikeness	1.5823
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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