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

Formula:C28H18O3Cl4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (2Z,6Z)-2,6-bis[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]cyclohexan-1-one is not a drug-like molecule.

MolName	(2Z,6Z)-2,6-bis[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]cyclohexan-1-one
MolecularFormula	C28H18O3Cl4
Smiles	O=C(/C(/CCC1)=C\c2ccc(-c(cccc3Cl)c3Cl)o2)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C28H18Cl4O3/c29-22-8-2-6-20(26(22)31)24-12-10-18(34-24)14-16-4-1-5-17(28(16)33)15-19-11-13-25(35-19)21-7-3-9-23(30)27(21)32/h2-3,6-15H,1,4-5H2
InChIK	YFMURRAGSQRZGK-UHFFFAOYSA-N
TotalMolweight	544.26
Molweight	544.26
MonoisotopicMass	542.001003
CLogP	9.1398
CLogS	-10.454
H Acceptors	3
TotalSurfaceArea	388.55
Relative PSA	0.10619
PolarSurfaceArea	43.35
Druglikeness	-0.85149
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	16
StereoCon

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

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