2-[(E)-3-(3-bromoanilino)-3-oxoprop-1-enyl]-4-nitrophenolate

Formula:C15H10N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-3-(3-bromoanilino)-3-oxoprop-1-enyl]-4-nitrophenolate is a drug-like molecule.

MolName	2-[(E)-3-(3-bromoanilino)-3-oxoprop-1-enyl]-4-nitrophenolate
MolecularFormula	C15H10N2O4Br
Smiles	[O-]c(cc1)c(/C=C/C(Nc2cccc(Br)c2)=O)cc1[N+]([O-])=O
InChI	InChI=1S/C15H11BrN2O4/c16-11-2-1-3-12(9-11)17-15(20)7-4-10-8-13(18(21)22)5-6-14(10)19/h1-9,19H,(H,17,20)/p-1
InChIK	LGZPVOYSOWLQBH-UHFFFAOYSA-M
TotalMolweight	362.158
Molweight	362.158
MonoisotopicMass	360.982394
CLogP	1.0162
CLogS	-4.496
H Acceptors	6
H Donors	1
TotalSurfaceArea	238.56
Relative PSA	0.29007
PolarSurfaceArea	97.98
Druglikeness	-7.2921
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[(E)-3-(3-bromoanilino)-3-oxoprop-1-enyl]-4-nitrophenolate | 2 - 2-[(E)-3-(3-bromoanilino)-3-oxoprop-1-enyl]-4-nitrophenolate

Request More Details | 2-[(E)-3-(3-bromoanilino)-3-oxoprop-1-enyl]-4-nitrophenolate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments