N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide

Formula:C22H13N3O2BrCl2F Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide is not a drug-like molecule.

MolName	N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide
MolecularFormula	C22H13N3O2BrCl2F
Smiles	N#Cc(cc1)cc(F)c1C(N/N=C\c(cc(cc1)Br)c1OCc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C22H13BrCl2FN3O2/c23-16-3-6-21(31-12-14-2-4-17(24)9-19(14)25)15(8-16)11-28-29-22(30)18-5-1-13(10-27)7-20(18)26/h1-9,11H,12H2,(H,29,30)
InChIK	AOBLBOITLRYUEB-UHFFFAOYSA-N
TotalMolweight	521.172
Molweight	521.172
MonoisotopicMass	518.95522
CLogP	6.4233
CLogS	-8.455
H Acceptors	5
H Donors	1
TotalSurfaceArea	348.04
Relative PSA	0.17116
PolarSurfaceArea	74.48
Druglikeness	-3.3586
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide | 2 - N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide

Request More Details | N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments