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

Formula:C34H23N2O2F Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)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-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
MolecularFormula	C34H23N2O2F
Smiles	O=C(/C=C/c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1)c1ccc(-c(cc2)ccc2F)o1
InChI	InChI=1S/C34H23FN2O2/c35-28-16-14-27(15-17-28)33-21-22-34(39-33)32(38)20-13-24-11-18-29(19-12-24)37-31(26-9-5-2-6-10-26)23-30(36-37)25-7-3-1-4-8-25/h1-23H
InChIK	KSUNMBKFLVXKQG-UHFFFAOYSA-N
TotalMolweight	510.567
Molweight	510.567
MonoisotopicMass	510.174356
CLogP	7.0127
CLogS	-8.905
H Acceptors	4
TotalSurfaceArea	400.31
Relative PSA	0.11239
PolarSurfaceArea	48.03
Druglikeness	3.4567
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5641
Fragments	1
Non HAtoms	39
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	34
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon

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