(E)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile

Formula:C22H15N2O3Cl Mutagenic:none Tumorigenic:low Reproductive Effective:high (E)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C22H15N2O3Cl
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C/c(cccc1)c1OCc1cccc(Cl)c1
InChI	InChI=1S/C22H15ClN2O3/c23-20-6-3-4-16(12-20)15-28-22-7-2-1-5-18(22)13-19(14-24)17-8-10-21(11-9-17)25(26)27/h1-13H,15H2
InChIK	YXCKCNRHGAJHET-UHFFFAOYSA-N
TotalMolweight	390.825
Molweight	390.825
MonoisotopicMass	390.07712
CLogP	4.3651
CLogS	-6.166
H Acceptors	5
TotalSurfaceArea	302.05
Relative PSA	0.17871
PolarSurfaceArea	78.84
Druglikeness	-10.197
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile | 2 - (E)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile

Request More Details | (E)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments