2-[[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzonitrile

Formula:C16H11N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzonitrile
MolecularFormula	C16H11N2O3Cl
Smiles	N#Cc1c(COc(ccc(/C=C/[N+]([O-])=O)c2)c2Cl)cccc1
InChI	InChI=1S/C16H11ClN2O3/c17-15-9-12(7-8-19(20)21)5-6-16(15)22-11-14-4-2-1-3-13(14)10-18/h1-9H,11H2
InChIK	AKQPPWFOGISVIM-UHFFFAOYSA-N
TotalMolweight	314.727
Molweight	314.727
MonoisotopicMass	314.04582
CLogP	2.5595
CLogS	-5.476
H Acceptors	5
TotalSurfaceArea	244.08
Relative PSA	0.22116
PolarSurfaceArea	78.84
Druglikeness	-10.979
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzonitrile | 2 - 2-[[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzonitrile

Request More Details | 2-[[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments