(E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile

Formula:C16H8N2OCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
MolecularFormula	C16H8N2OCl2
Smiles	N#C/C(/c1nc(cccc2)c2o1)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C16H8Cl2N2O/c17-12-6-5-10(13(18)8-12)7-11(9-19)16-20-14-3-1-2-4-15(14)21-16/h1-8H
InChIK	SGPQYUZKDFRVJI-UHFFFAOYSA-N
TotalMolweight	315.159
Molweight	315.159
MonoisotopicMass	314.001367
CLogP	4.4459
CLogS	-5.23
H Acceptors	3
TotalSurfaceArea	233.33
Relative PSA	0.1656
PolarSurfaceArea	49.82
Druglikeness	-4.2183
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile | 2 - (E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile

Request More Details | (E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments