4-[[(E)-2-[3-(2-chlorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid

Formula:C19H12N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-[3-(2-chlorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-2-[3-(2-chlorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid
MolecularFormula	C19H12N3O3Cl
Smiles	N#Cc1c(/C=C/Nc(cc2)ccc2C(O)=O)onc1-c(cccc1)c1Cl
InChI	InChI=1S/C19H12ClN3O3/c20-16-4-2-1-3-14(16)18-15(11-21)17(26-23-18)9-10-22-13-7-5-12(6-8-13)19(24)25/h1-10,22H,(H,24,25)
InChIK	XGQJEIMAAQBFET-UHFFFAOYSA-N
TotalMolweight	365.775
Molweight	365.775
MonoisotopicMass	365.056719
CLogP	3.1785
CLogS	-6.119
H Acceptors	6
H Donors	2
TotalSurfaceArea	280.42
Relative PSA	0.27188
PolarSurfaceArea	99.15
Druglikeness	-2.6228
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[[(E)-2-[3-(2-chlorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid | 2 - 4-[[(E)-2-[3-(2-chlorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid

Request More Details | 4-[[(E)-2-[3-(2-chlorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments