3-[[(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid

Formula:C26H19N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	3-[[(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C26H19N3O4
Smiles	N#C/C(/C(Nc1cccc(C(O)=O)c1)=O)=C\c1c[nH]c(cc2)c1cc2OCc1ccccc1
InChI	InChI=1S/C26H19N3O4/c27-14-19(25(30)29-21-8-4-7-18(12-21)26(31)32)11-20-15-28-24-10-9-22(13-23(20)24)33-16-17-5-2-1-3-6-17/h1-13,15,28H,16H2,(H,29,30)(H,31,32)
InChIK	NPEHQUHWGPVTGK-UHFFFAOYSA-N
TotalMolweight	437.454
Molweight	437.454
MonoisotopicMass	437.137557
CLogP	3.8609
CLogS	-5.649
H Acceptors	7
H Donors	3
TotalSurfaceArea	340.44
Relative PSA	0.25905
PolarSurfaceArea	115.21
Druglikeness	-2.0046
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[[(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid | 2 - 3-[[(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid

Request More Details | 3-[[(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments