5-[(E)-2-(5-chloro-2-hydroxyanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile

Formula:C18H12N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-(5-chloro-2-hydroxyanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile is a drug-like molecule.

MolName	5-[(E)-2-(5-chloro-2-hydroxyanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile
MolecularFormula	C18H12N3O2Cl
Smiles	N#Cc1c(/C=C/Nc(cc(cc2)Cl)c2O)onc1-c1ccccc1
InChI	InChI=1S/C18H12ClN3O2/c19-13-6-7-16(23)15(10-13)21-9-8-17-14(11-20)18(22-24-17)12-4-2-1-3-5-12/h1-10,21,23H
InChIK	LGCWPNIHJFUSAB-UHFFFAOYSA-N
TotalMolweight	337.765
Molweight	337.765
MonoisotopicMass	337.061804
CLogP	3.3477
CLogS	-5.81
H Acceptors	5
H Donors	2
TotalSurfaceArea	262.67
Relative PSA	0.24061
PolarSurfaceArea	82.08
Druglikeness	-2.7215
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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