4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid

Formula:C24H16N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
MolecularFormula	C24H16N2O6
Smiles	N#C/C(/C(c1cccc([N+]([O-])=O)c1)=O)=C\c(cccc1)c1OCc(cc1)ccc1C(O)=O
InChI	InChI=1S/C24H16N2O6/c25-14-20(23(27)19-5-3-6-21(13-19)26(30)31)12-18-4-1-2-7-22(18)32-15-16-8-10-17(11-9-16)24(28)29/h1-13H,15H2,(H,28,29)
InChIK	BSCXUSMRAVFXLA-UHFFFAOYSA-N
TotalMolweight	428.399
Molweight	428.399
MonoisotopicMass	428.100838
CLogP	3.0674
CLogS	-5.926
H Acceptors	8
H Donors	1
TotalSurfaceArea	328.48
Relative PSA	0.28361
PolarSurfaceArea	133.21
Druglikeness	-8.9753
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid | 2 - 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid

Request More Details | 4-[[2-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments