(E)-2-(4-chlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile

Formula:C13H9N2Cl Mutagenic:none Tumorigenic:low Reproductive Effective:low (E)-2-(4-chlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-chlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
MolecularFormula	C13H9N2Cl
Smiles	N#C/C(/c(cc1)ccc1Cl)=C/c1ccc[nH]1
InChI	InChI=1S/C13H9ClN2/c14-12-5-3-10(4-6-12)11(9-15)8-13-2-1-7-16-13/h1-8,16H
InChIK	RXJQQYZCJZSLSB-UHFFFAOYSA-N
TotalMolweight	228.681
Molweight	228.681
MonoisotopicMass	228.045425
CLogP	2.7151
CLogS	-3.413
H Acceptors	2
H Donors	1
TotalSurfaceArea	184.43
Relative PSA	0.14938
PolarSurfaceArea	39.58
Druglikeness	-3.6175
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-(4-chlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile | 2 - (E)-2-(4-chlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile

Request More Details | (E)-2-(4-chlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments