(4-cyanophenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate

Formula:C16H9NO2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4-cyanophenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	(4-cyanophenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate
MolecularFormula	C16H9NO2Cl2
Smiles	N#Cc(cc1)ccc1OC(/C=C/c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C16H9Cl2NO2/c17-13-5-3-12(15(18)9-13)4-8-16(20)21-14-6-1-11(10-19)2-7-14/h1-9H
InChIK	PJTYRIBYBFWJSJ-UHFFFAOYSA-N
TotalMolweight	318.158
Molweight	318.158
MonoisotopicMass	317.001033
CLogP	4.4669
CLogS	-5.701
H Acceptors	3
TotalSurfaceArea	239.82
Relative PSA	0.15261
PolarSurfaceArea	50.09
Druglikeness	-7.2703
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - (4-cyanophenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate | 2 - (4-cyanophenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate

Request More Details | (4-cyanophenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments