2-chloro-5-[5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]furan-2-yl]benzoic acid

Formula:C21H12NO5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-5-[5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	2-chloro-5-[5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]furan-2-yl]benzoic acid
MolecularFormula	C21H12NO5Cl
Smiles	OC(c(cc(cc1)-c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)o2)c1Cl)=O
InChI	InChI=1S/C21H12ClNO5/c22-16-8-6-13(10-15(16)20(24)25)18-9-7-14(27-18)11-17-21(26)28-19(23-17)12-4-2-1-3-5-12/h1-11H,(H,24,25)
InChIK	ZDOCFTSSXAJYRK-UHFFFAOYSA-N
TotalMolweight	393.781
Molweight	393.781
MonoisotopicMass	393.040401
CLogP	3.6218
CLogS	-6.128
H Acceptors	6
H Donors	1
TotalSurfaceArea	283.92
Relative PSA	0.26345
PolarSurfaceArea	89.1
Druglikeness	1.9948
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
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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