(E)-3-(3-nitrophenyl)-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butyl]prop-2-enamide

Formula:C22H22N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-nitrophenyl)-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(3-nitrophenyl)-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
MolecularFormula	C22H22N4O6
Smiles	[O-][N+](c1cccc(/C=C/C(NCCCCNC(/C=C/c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O
InChI	InChI=1S/C22H22N4O6/c27-21(11-9-17-5-3-7-19(15-17)25(29)30)23-13-1-2-14-24-22(28)12-10-18-6-4-8-20(16-18)26(31)32/h3-12,15-16H,1-2,13-14H2,(H,23,27)(H,24,28)
InChIK	ICDLFRMDJNDBTC-UHFFFAOYSA-N
TotalMolweight	438.439
Molweight	438.439
MonoisotopicMass	438.153936
CLogP	1.7562
CLogS	-5.058
H Acceptors	10
H Donors	2
TotalSurfaceArea	346.82
Relative PSA	0.31671
PolarSurfaceArea	149.84
Druglikeness	-7.0587
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6875
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	16
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (E)-3-(3-nitrophenyl)-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butyl]prop-2-enamide | 2 - (E)-3-(3-nitrophenyl)-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butyl]prop-2-enamide

Request More Details | (E)-3-(3-nitrophenyl)-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]butyl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments