(Z)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enenitrile

Formula:C13H8N2O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enenitrile
MolecularFormula	C13H8N2O3
Smiles	N#C/C(/c1ccccc1)=C\c1ccc([N+]([O-])=O)o1
InChI	InChI=1S/C13H8N2O3/c14-9-11(10-4-2-1-3-5-10)8-12-6-7-13(18-12)15(16)17/h1-8H
InChIK	WQDXPOZUDGGDSD-UHFFFAOYSA-N
TotalMolweight	240.218
Molweight	240.218
MonoisotopicMass	240.053493
CLogP	1.9511
CLogS	-4.296
H Acceptors	5
TotalSurfaceArea	192.8
Relative PSA	0.3013
PolarSurfaceArea	82.75
Druglikeness	-7.5686
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (Z)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enenitrile | 2 - (Z)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enenitrile

Request More Details | (Z)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments