(E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C16H10NOCl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C16H10NOCl2F
Smiles	N#C/C=C/c(cc1Cl)cc(Cl)c1OCc1cc(F)ccc1
InChI	InChI=1S/C16H10Cl2FNO/c17-14-8-11(4-2-6-20)9-15(18)16(14)21-10-12-3-1-5-13(19)7-12/h1-5,7-9H,10H2
InChIK	CBMQJBZSYZRXGG-UHFFFAOYSA-N
TotalMolweight	322.165
Molweight	322.165
MonoisotopicMass	321.012346
CLogP	4.6567
CLogS	-5.799
H Acceptors	2
TotalSurfaceArea	242.18
Relative PSA	0.097283
PolarSurfaceArea	33.02
Druglikeness	-7.1362
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
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	2
Symmetricatoms	3
StereoCon

Click to Load Molecule:

1 - (E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile | 2 - (E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile

Request More Details | (E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments