(E)-4-[2-[2-[2-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]ethynyl]anilino]-4-oxobut-2-enoic acid

Formula:C22H16N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-[2-[2-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]ethynyl]anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-[2-[2-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]ethynyl]anilino]-4-oxobut-2-enoic acid
MolecularFormula	C22H16N2O6
Smiles	OC(/C=C/C(Nc(cccc1)c1C#Cc(cccc1)c1NC(/C=C/C(O)=O)=O)=O)=O
InChI	InChI=1S/C22H16N2O6/c25-19(11-13-21(27)28)23-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)24-20(26)12-14-22(29)30/h1-8,11-14H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIK	CFCLGBXKXAJTNN-UHFFFAOYSA-N
TotalMolweight	404.377
Molweight	404.377
MonoisotopicMass	404.100838
CLogP	2.0116
CLogS	-2.91
H Acceptors	8
H Donors	4
TotalSurfaceArea	322.44
Relative PSA	0.3141
PolarSurfaceArea	132.8
Druglikeness	-2.5922
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	15
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (E)-4-[2-[2-[2-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]ethynyl]anilino]-4-oxobut-2-enoic acid | 2 - (E)-4-[2-[2-[2-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]ethynyl]anilino]-4-oxobut-2-enoic acid

Request More Details | (E)-4-[2-[2-[2-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]ethynyl]anilino]-4-oxobut-2-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments