(Z)-3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile

Formula:C13H14N4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile
MolecularFormula	C13H14N4Cl2
Smiles	N/C(/N(CC1)CCN1c(cc1)cc(Cl)c1Cl)=C/C#N
InChI	InChI=1S/C13H14Cl2N4/c14-11-2-1-10(9-12(11)15)18-5-7-19(8-6-18)13(17)3-4-16/h1-3,9H,5-8,17H2
InChIK	DWGJKFYZDBAFIJ-UHFFFAOYSA-N
TotalMolweight	297.188
Molweight	297.188
MonoisotopicMass	296.05955
CLogP	2.1154
CLogS	-4.702
H Acceptors	4
H Donors	1
TotalSurfaceArea	221.18
Relative PSA	0.16245
PolarSurfaceArea	56.29
Druglikeness	0.67732
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
Amines	1
Aromatic Amines	1
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - (Z)-3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile | 2 - (Z)-3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile

Request More Details | (Z)-3-amino-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments