2-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]benzoic acid

Formula:C17H11N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]benzoic acid
MolecularFormula	C17H11N3O3
Smiles	N#C/C(/c1nc(cccc2)c2o1)=C\Nc(cccc1)c1C(O)=O
InChI	InChI=1S/C17H11N3O3/c18-9-11(16-20-14-7-3-4-8-15(14)23-16)10-19-13-6-2-1-5-12(13)17(21)22/h1-8,10,19H,(H,21,22)
InChIK	JIOLADCOYROHSQ-UHFFFAOYSA-N
TotalMolweight	305.292
Molweight	305.292
MonoisotopicMass	305.080042
CLogP	1.8897
CLogS	-3.717
H Acceptors	6
H Donors	2
TotalSurfaceArea	238.05
Relative PSA	0.32027
PolarSurfaceArea	99.15
Druglikeness	-4.1873
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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