(E)-2-cyano-3-(2,6-dichlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula:C20H15N3OCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-(2,6-dichlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(2,6-dichlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MolecularFormula	C20H15N3OCl2
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C20H15Cl2N3O/c21-17-5-3-6-18(22)16(17)10-14(11-23)20(26)24-9-8-13-12-25-19-7-2-1-4-15(13)19/h1-7,10,12,25H,8-9H2,(H,24,26)
InChIK	QOCQHKUHJMIMSM-UHFFFAOYSA-N
TotalMolweight	384.265
Molweight	384.265
MonoisotopicMass	383.059216
CLogP	4.3792
CLogS	-5.695
H Acceptors	4
H Donors	2
TotalSurfaceArea	291.18
Relative PSA	0.17876
PolarSurfaceArea	68.68
Druglikeness	-0.92804
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-cyano-3-(2,6-dichlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide | 2 - (E)-2-cyano-3-(2,6-dichlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Request More Details | (E)-2-cyano-3-(2,6-dichlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments