(2E,6E)-2,6-bis[[5-(4-fluorophenyl)furan-2-yl]methylidene]cyclohexan-1-one

Formula:C28H20O3F2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (2E,6E)-2,6-bis[[5-(4-fluorophenyl)furan-2-yl]methylidene]cyclohexan-1-one is not a drug-like molecule.

MolName	(2E,6E)-2,6-bis[[5-(4-fluorophenyl)furan-2-yl]methylidene]cyclohexan-1-one
MolecularFormula	C28H20O3F2
Smiles	O=C(/C(/CCC1)=C/c2ccc(-c(cc3)ccc3F)o2)/C1=C/c1ccc(-c(cc2)ccc2F)o1
InChI	InChI=1S/C28H20F2O3/c29-22-8-4-18(5-9-22)26-14-12-24(32-26)16-20-2-1-3-21(28(20)31)17-25-13-15-27(33-25)19-6-10-23(30)11-7-19/h4-17H,1-3H2
InChIK	RBJJAWPBKHYHSE-UHFFFAOYSA-N
TotalMolweight	442.46
Molweight	442.46
MonoisotopicMass	442.138051
CLogP	6.9174
CLogS	-8.138
H Acceptors	3
TotalSurfaceArea	339.57
Relative PSA	0.12151
PolarSurfaceArea	43.35
Druglikeness	-2.2615
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	17
StereoCon

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