(E)-2-(1,3-benzothiazol-2-yl)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C23H15N2OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H15N2OClS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c(cccc1)c1OCc(cc1)ccc1Cl
InChI	InChI=1S/C23H15ClN2OS/c24-19-11-9-16(10-12-19)15-27-21-7-3-1-5-17(21)13-18(14-25)23-26-20-6-2-4-8-22(20)28-23/h1-13H,15H2
InChIK	GPZUWXJJPNBJDO-UHFFFAOYSA-N
TotalMolweight	402.904
Molweight	402.904
MonoisotopicMass	402.05936
CLogP	5.2939
CLogS	-5.97
H Acceptors	3
TotalSurfaceArea	307.68
Relative PSA	0.1784
PolarSurfaceArea	74.15
Druglikeness	-3.2245
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-(1,3-benzothiazol-2-yl)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile | 2 - (E)-2-(1,3-benzothiazol-2-yl)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile

Request More Details | (E)-2-(1,3-benzothiazol-2-yl)-3-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments