N-[(Z)-3-amino-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C16H13N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-amino-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-3-amino-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C16H13N3O4
Smiles	NC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C16H13N3O4/c17-15(20)14(18-16(21)12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)19(22)23/h1-10H,(H2,17,20)(H,18,21)
InChIK	AVRFBVUYWPCENE-UHFFFAOYSA-N
TotalMolweight	311.296
Molweight	311.296
MonoisotopicMass	311.090607
CLogP	1.442
CLogS	-3.91
H Acceptors	7
H Donors	2
TotalSurfaceArea	236.88
Relative PSA	0.35136
PolarSurfaceArea	118.01
Druglikeness	-1.9177
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(Z)-3-amino-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-amino-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Request More Details | N-[(Z)-3-amino-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments