(E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(5-chloro-2-hydroxyanilino)prop-2-enenitrile

Formula:C16H9N3O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(5-chloro-2-hydroxyanilino)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(5-chloro-2-hydroxyanilino)prop-2-enenitrile
MolecularFormula	C16H9N3O2Cl2
Smiles	N#C/C(/c1nc(cc(cc2)Cl)c2o1)=C\Nc(cc(cc1)Cl)c1O
InChI	InChI=1S/C16H9Cl2N3O2/c17-10-1-3-14(22)12(5-10)20-8-9(7-19)16-21-13-6-11(18)2-4-15(13)23-16/h1-6,8,20,22H
InChIK	RDIFORRNHBWSIR-UHFFFAOYSA-N
TotalMolweight	346.172
Molweight	346.172
MonoisotopicMass	345.007181
CLogP	3.2709
CLogS	-4.88
H Acceptors	5
H Donors	2
TotalSurfaceArea	251.14
Relative PSA	0.25165
PolarSurfaceArea	82.08
Druglikeness	-4.2504
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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