2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzoic acid

Formula:C16H11NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzoic acid is a drug-like molecule.

MolName	2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzoic acid
MolecularFormula	C16H11NO5
Smiles	[O-][N+](c1ccc(/C=C/C(c(cccc2)c2C(O)=O)=O)cc1)=O
InChI	InChI=1S/C16H11NO5/c18-15(13-3-1-2-4-14(13)16(19)20)10-7-11-5-8-12(9-6-11)17(21)22/h1-10H,(H,19,20)
InChIK	HRHHWWTURTUTLC-UHFFFAOYSA-N
TotalMolweight	297.265
Molweight	297.265
MonoisotopicMass	297.063724
CLogP	1.8673
CLogS	-4.313
H Acceptors	6
H Donors	1
TotalSurfaceArea	225.04
Relative PSA	0.30928
PolarSurfaceArea	100.19
Druglikeness	-5.0428
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzoic acid | 2 - 2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzoic acid

Request More Details | 2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments