4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzonitrile

Formula:C24H15N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzonitrile is a drug-like molecule.

MolName	4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzonitrile
MolecularFormula	C24H15N3O4
Smiles	N#C/C(/C(c1cccc([N+]([O-])=O)c1)=O)=C\c(cccc1)c1OCc(cc1)ccc1C#N
InChI	InChI=1S/C24H15N3O4/c25-14-17-8-10-18(11-9-17)16-31-23-7-2-1-4-19(23)12-21(15-26)24(28)20-5-3-6-22(13-20)27(29)30/h1-13H,16H2
InChIK	YDTNQBUUGLYVOL-UHFFFAOYSA-N
TotalMolweight	409.4
Molweight	409.4
MonoisotopicMass	409.106257
CLogP	3.4179
CLogS	-6.686
H Acceptors	7
TotalSurfaceArea	326.09
Relative PSA	0.24711
PolarSurfaceArea	119.7
Druglikeness	-9.0595
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzonitrile | 2 - 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzonitrile

Request More Details | 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments