(E)-1-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one

Formula:C24H19N2OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C24H19N2OBr
Smiles	O=C(/C=C/c1ccccc1)N(C(C1)c(cc2)ccc2Br)N=C1c1ccccc1
InChI	InChI=1S/C24H19BrN2O/c25-21-14-12-20(13-15-21)23-17-22(19-9-5-2-6-10-19)26-27(23)24(28)16-11-18-7-3-1-4-8-18/h1-16,23H,17H2/t23-/m0/s1
InChIK	IJIOAXVDNUOUDM-QHCPKHFHSA-N
TotalMolweight	431.332
Molweight	431.332
MonoisotopicMass	430.068074
CLogP	5.7266
CLogS	-5.99
H Acceptors	3
TotalSurfaceArea	301.69
Relative PSA	0.093142
PolarSurfaceArea	32.67
Druglikeness	0.32155
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
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
StereoCon	racemate

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