(E)-3-anthracen-9-yl-1-[4-[(E)-3-anthracen-9-ylprop-2-enoyl]phenyl]prop-2-en-1-one

Formula:C40H26O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-anthracen-9-yl-1-[4-[(E)-3-anthracen-9-ylprop-2-enoyl]phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-anthracen-9-yl-1-[4-[(E)-3-anthracen-9-ylprop-2-enoyl]phenyl]prop-2-en-1-one
MolecularFormula	C40H26O2
Smiles	O=C(/C=C/c1c(cccc2)c2cc2ccccc12)c(cc1)ccc1C(/C=C/c1c(cccc2)c2cc2ccccc12)=O
InChI	InChI=1S/C40H26O2/c41-39(23-21-37-33-13-5-1-9-29(33)25-30-10-2-6-14-34(30)37)27-17-19-28(20-18-27)40(42)24-22-38-35-15-7-3-11-31(35)26-32-12-4-8-16-36(32)38/h1-26H
InChIK	VZFIUAFFXORRFQ-UHFFFAOYSA-N
TotalMolweight	538.644
Molweight	538.644
MonoisotopicMass	538.19328
CLogP	9.7256
CLogS	-12.488
H Acceptors	2
TotalSurfaceArea	419.68
Relative PSA	0.062143
PolarSurfaceArea	34.14
Druglikeness	0.1125
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.47619
Fragments	1
Non HAtoms	42
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	6
Rings Closures	7
Small Rings	7
Aromatic Rings	7
Aromatic Atoms	34
Symmetricatoms	28
StereoCon

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