9,9-bis[4-[(3E)-4-phenylbuta-1,3-dien-2-yl]oxyphenyl]fluorene

Formula:C45H34O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 9,9-bis[4-[(3E)-4-phenylbuta-1,3-dien-2-yl]oxyphenyl]fluorene is not a drug-like molecule.

MolName	9,9-bis[4-[(3E)-4-phenylbuta-1,3-dien-2-yl]oxyphenyl]fluorene
MolecularFormula	C45H34O2
Smiles	C=C(/C=C/c1ccccc1)Oc1ccc(C2(c(cccc3)c3-c3c2cccc3)c(cc2)ccc2OC(/C=C/c2ccccc2)=C)cc1
InChI	InChI=1S/C45H34O2/c1-33(21-23-35-13-5-3-6-14-35)46-39-29-25-37(26-30-39)45(43-19-11-9-17-41(43)42-18-10-12-20-44(42)45)38-27-31-40(32-28-38)47-34(2)22-24-36-15-7-4-8-16-36/h3-32H,1-2H2
InChIK	WHNRFSOVHGLWIM-UHFFFAOYSA-N
TotalMolweight	606.763
Molweight	606.763
MonoisotopicMass	606.25588
CLogP	12.246
CLogS	-15.428
H Acceptors	2
TotalSurfaceArea	487.47
Relative PSA	0.041028
PolarSurfaceArea	18.46
Druglikeness	-5.3738
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.53191
Fragments	1
Non HAtoms	47
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	10
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	36
Sp3Atoms	3
Symmetricatoms	27
StereoCon

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