(E)-3-[1-(6-bromo-4-phenylquinazolin-2-yl)-2-phenylpyrazol-2-ium-4-yl]-1-phenylprop-2-en-1-one

Formula:C32H22N4OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-(6-bromo-4-phenylquinazolin-2-yl)-2-phenylpyrazol-2-ium-4-yl]-1-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[1-(6-bromo-4-phenylquinazolin-2-yl)-2-phenylpyrazol-2-ium-4-yl]-1-phenylprop-2-en-1-one
MolecularFormula	C32H22N4OBr
Smiles	O=C(/C=C/c1cn(-c2nc(-c3ccccc3)c(cc(cc3)Br)c3n2)[n+](-c2ccccc2)c1)c1ccccc1
InChI	InChI=1S/C32H22BrN4O/c33-26-17-18-29-28(20-26)31(25-12-6-2-7-13-25)35-32(34-29)37-22-23(21-36(37)27-14-8-3-9-15-27)16-19-30(38)24-10-4-1-5-11-24/h1-22H/q+1
InChIK	SYWRTDHYSPHGLT-UHFFFAOYSA-N
TotalMolweight	558.458
Molweight	558.458
MonoisotopicMass	557.097697
CLogP	4.7009
CLogS	-5.49
H Acceptors	5
TotalSurfaceArea	393.8
Relative PSA	0.11328
PolarSurfaceArea	51.66
Druglikeness	-0.95517
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	33
Symmetricatoms	6
Aromatic Nitrogens	4
StereoCon

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