4-chloro-3-[5-[(E)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid

Formula:C25H14NO4ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-chloro-3-[5-[(E)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	4-chloro-3-[5-[(E)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
MolecularFormula	C25H14NO4ClS2
Smiles	OC(c(cc1)cc(-c2ccc(/C=C(\C(N3c4cccc5ccccc45)=O)/SC3=S)o2)c1Cl)=O
InChI	InChI=1S/C25H14ClNO4S2/c26-19-10-8-15(24(29)30)12-18(19)21-11-9-16(31-21)13-22-23(28)27(25(32)33-22)20-7-3-5-14-4-1-2-6-17(14)20/h1-13H,(H,29,30)
InChIK	GHCWGDFWPJLZBR-UHFFFAOYSA-N
TotalMolweight	491.974
Molweight	491.974
MonoisotopicMass	491.005276
CLogP	5.1167
CLogS	-8.798
H Acceptors	5
H Donors	1
TotalSurfaceArea	346.05
Relative PSA	0.29571
PolarSurfaceArea	128.14
Druglikeness	3.8107
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

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1 - 4-chloro-3-[5-[(E)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid | 2 - 4-chloro-3-[5-[(E)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid

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