(E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one

Formula:C35H23N2O2F3 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
MolecularFormula	C35H23N2O2F3
Smiles	O=C(/C=C/c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChI	InChI=1S/C35H23F3N2O2/c36-35(37,38)28-13-7-12-27(22-28)33-20-21-34(42-33)32(41)19-16-24-14-17-29(18-15-24)40-31(26-10-5-2-6-11-26)23-30(39-40)25-8-3-1-4-9-25/h1-23H
InChIK	OWKNDXSLUGLWBJ-UHFFFAOYSA-N
TotalMolweight	560.574
Molweight	560.574
MonoisotopicMass	560.171162
CLogP	7.7602
CLogS	-9.369
H Acceptors	4
TotalSurfaceArea	423.42
Relative PSA	0.10625
PolarSurfaceArea	48.03
Druglikeness	-2.3933
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	42
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	34
Sp3Atoms	1
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon

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