2-chloro-4-[(E)-2-nitroethenyl]-1-[(3-nitrophenyl)methoxy]benzene

Formula:C15H11N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-4-[(E)-2-nitroethenyl]-1-[(3-nitrophenyl)methoxy]benzene is a drug-like molecule.

MolName	2-chloro-4-[(E)-2-nitroethenyl]-1-[(3-nitrophenyl)methoxy]benzene
MolecularFormula	C15H11N2O5Cl
Smiles	[O-][N+](/C=C/c(cc1)cc(Cl)c1OCc1cc([N+]([O-])=O)ccc1)=O
InChI	InChI=1S/C15H11ClN2O5/c16-14-9-11(6-7-17(19)20)4-5-15(14)23-10-12-2-1-3-13(8-12)18(21)22/h1-9H,10H2
InChIK	XZMJMSDSKHUKFS-UHFFFAOYSA-N
TotalMolweight	334.714
Molweight	334.714
MonoisotopicMass	334.03565
CLogP	1.8023
CLogS	-5.163
H Acceptors	7
TotalSurfaceArea	246.04
Relative PSA	0.28792
PolarSurfaceArea	100.87
Druglikeness	-6.9626
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 2-chloro-4-[(E)-2-nitroethenyl]-1-[(3-nitrophenyl)methoxy]benzene | 2 - 2-chloro-4-[(E)-2-nitroethenyl]-1-[(3-nitrophenyl)methoxy]benzene

Request More Details | 2-chloro-4-[(E)-2-nitroethenyl]-1-[(3-nitrophenyl)methoxy]benzene

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments