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

Formula:C22H15N2O3Br Mutagenic:none Tumorigenic:low Reproductive Effective:high (E)-3-[2-[(4-bromophenyl)methoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[2-[(4-bromophenyl)methoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C22H15N2O3Br
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C/c(cccc1)c1OCc(cc1)ccc1Br
InChI	InChI=1S/C22H15BrN2O3/c23-20-9-5-16(6-10-20)15-28-22-4-2-1-3-18(22)13-19(14-24)17-7-11-21(12-8-17)25(26)27/h1-13H,15H2
InChIK	RHIGHOGFLNSBBH-UHFFFAOYSA-N
TotalMolweight	435.276
Molweight	435.276
MonoisotopicMass	434.026604
CLogP	4.4843
CLogS	-6.264
H Acceptors	5
TotalSurfaceArea	305.26
Relative PSA	0.17683
PolarSurfaceArea	78.84
Druglikeness	-12.121
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
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	4
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments