(2Z,6Z)-2,6-bis[[5-(3-chlorophenyl)furan-2-yl]methylidene]cyclohexan-1-one

Formula:C28H20O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (2Z,6Z)-2,6-bis[[5-(3-chlorophenyl)furan-2-yl]methylidene]cyclohexan-1-one is not a drug-like molecule.

MolName	(2Z,6Z)-2,6-bis[[5-(3-chlorophenyl)furan-2-yl]methylidene]cyclohexan-1-one
MolecularFormula	C28H20O3Cl2
Smiles	O=C(/C(/CCC1)=C\c2ccc(-c3cc(Cl)ccc3)o2)/C1=C\c1ccc(-c2cccc(Cl)c2)o1
InChI	InChI=1S/C28H20Cl2O3/c29-22-8-2-4-18(14-22)26-12-10-24(32-26)16-20-6-1-7-21(28(20)31)17-25-11-13-27(33-25)19-5-3-9-23(30)15-19/h2-5,8-17H,1,6-7H2
InChIK	LERAUHWLHDMHNX-UHFFFAOYSA-N
TotalMolweight	475.37
Molweight	475.37
MonoisotopicMass	474.078949
CLogP	7.9278
CLogS	-8.982
H Acceptors	3
TotalSurfaceArea	357.71
Relative PSA	0.11534
PolarSurfaceArea	43.35
Druglikeness	-0.85149
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57576
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	15
StereoCon

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