3-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate

Formula:C23H15N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate is not a drug-like molecule.

MolName	3-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate
MolecularFormula	C23H15N3O6Br
Smiles	[O-]C(c1cccc(NC(/C(/NC(c(cccc2)c2Br)=O)=C\c(cc2)ccc2[N+]([O-])=O)=O)c1)=O
InChI	InChI=1S/C23H16BrN3O6/c24-19-7-2-1-6-18(19)21(28)26-20(12-14-8-10-17(11-9-14)27(32)33)22(29)25-16-5-3-4-15(13-16)23(30)31/h1-13H,(H,25,29)(H,26,28)(H,30,31)/p-1
InChIK	XAVQYOYWMRKUAD-UHFFFAOYSA-M
TotalMolweight	509.291
Molweight	509.291
MonoisotopicMass	508.014423
CLogP	1.6365
CLogS	-6.18
H Acceptors	9
H Donors	2
TotalSurfaceArea	343.49
Relative PSA	0.31075
PolarSurfaceArea	144.15
Druglikeness	-3.7786
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 3-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate | 2 - 3-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate

Request More Details | 3-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments