(E)-N-benzyl-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide

Formula:C17H12N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-benzyl-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-benzyl-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
MolecularFormula	C17H12N2O2Cl2
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\c(cc1Cl)cc(Cl)c1O
InChI	InChI=1S/C17H12Cl2N2O2/c18-14-7-12(8-15(19)16(14)22)6-13(9-20)17(23)21-10-11-4-2-1-3-5-11/h1-8,22H,10H2,(H,21,23)
InChIK	MCBPIFPCYQROFS-UHFFFAOYSA-N
TotalMolweight	347.2
Molweight	347.2
MonoisotopicMass	346.027582
CLogP	3.564
CLogS	-4.762
H Acceptors	4
H Donors	2
TotalSurfaceArea	259.6
Relative PSA	0.19707
PolarSurfaceArea	73.12
Druglikeness	-1.2406
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
Amides	1
StereoCon

Click to Load Molecule:

1 - (E)-N-benzyl-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide | 2 - (E)-N-benzyl-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide

Request More Details | (E)-N-benzyl-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments