(E)-4-(2,3-dihydroindol-1-yl)-4-oxobut-2-enoate

Formula:C12H10NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(2,3-dihydroindol-1-yl)-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-(2,3-dihydroindol-1-yl)-4-oxobut-2-enoate
MolecularFormula	C12H10NO3
Smiles	[O-]C(/C=C/C(N(CC1)c2c1cccc2)=O)=O
InChI	InChI=1S/C12H11NO3/c14-11(5-6-12(15)16)13-8-7-9-3-1-2-4-10(9)13/h1-6H,7-8H2,(H,15,16)/p-1
InChIK	XCYGCNJVPDEBPR-UHFFFAOYSA-M
TotalMolweight	216.215
Molweight	216.215
MonoisotopicMass	216.066069
CLogP	-0.9456
CLogS	-2.07
H Acceptors	4
TotalSurfaceArea	167.11
Relative PSA	0.26276
PolarSurfaceArea	60.44
Druglikeness	2.0549
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-4-(2,3-dihydroindol-1-yl)-4-oxobut-2-enoate | 2 - (E)-4-(2,3-dihydroindol-1-yl)-4-oxobut-2-enoate

Request More Details | (E)-4-(2,3-dihydroindol-1-yl)-4-oxobut-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments