(E)-3-[3-(1,2-dihydroacenaphthylen-5-yl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one

Formula:C30H22N2O Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-3-[3-(1,2-dihydroacenaphthylen-5-yl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[3-(1,2-dihydroacenaphthylen-5-yl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
MolecularFormula	C30H22N2O
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(CC2)c3c2cccc13)c1ccccc1
InChI	InChI=1S/C30H22N2O/c33-28(21-8-3-1-4-9-21)19-17-24-20-32(25-11-5-2-6-12-25)31-30(24)27-18-16-23-15-14-22-10-7-13-26(27)29(22)23/h1-13,16-20H,14-15H2
InChIK	YBTXXDIWDHQRHT-UHFFFAOYSA-N
TotalMolweight	426.518
Molweight	426.518
MonoisotopicMass	426.173213
CLogP	5.89
CLogS	-7.511
H Acceptors	3
TotalSurfaceArea	333.37
Relative PSA	0.09263
PolarSurfaceArea	34.89
Druglikeness	2.2225
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42424
Fragments	1
Non HAtoms	33
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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