2-chloro-4-[5-[(Z)-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]methyl]furan-2-yl]benzoic acid

Formula:C22H12O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-4-[5-[(Z)-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	2-chloro-4-[5-[(Z)-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C22H12O5Cl2
Smiles	OC(c(ccc(-c1ccc(/C=C(/C=C(c(cc2)ccc2Cl)O2)\C2=O)o1)c1)c1Cl)=O
InChI	InChI=1S/C22H12Cl2O5/c23-15-4-1-12(2-5-15)20-11-14(22(27)29-20)9-16-6-8-19(28-16)13-3-7-17(21(25)26)18(24)10-13/h1-11H,(H,25,26)
InChIK	PKUNPSFPUFPCRD-UHFFFAOYSA-N
TotalMolweight	427.238
Molweight	427.238
MonoisotopicMass	426.006179
CLogP	5.0592
CLogS	-6.622
H Acceptors	5
H Donors	1
TotalSurfaceArea	301.08
Relative PSA	0.21021
PolarSurfaceArea	76.74
Druglikeness	1.2373
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 2-chloro-4-[5-[(Z)-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-4-[5-[(Z)-[5-(4-chlorophenyl)-2-oxofuran-3-ylidene]methyl]furan-2-yl]benzoic acid

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