(E)-3-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

Formula:C22H15N2O3Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
MolecularFormula	C22H15N2O3Cl3
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\c(cc1)cc(Cl)c1OCc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C22H15Cl3N2O3/c23-18-5-3-15(10-19(18)24)13-30-21-6-4-14(9-20(21)25)8-16(11-26)22(28)27-12-17-2-1-7-29-17/h1-10H,12-13H2,(H,27,28)
InChIK	HYPFXSJDORNYQX-UHFFFAOYSA-N
TotalMolweight	461.731
Molweight	461.731
MonoisotopicMass	460.014824
CLogP	5.0525
CLogS	-6.817
H Acceptors	5
H Donors	1
TotalSurfaceArea	341.88
Relative PSA	0.18185
PolarSurfaceArea	75.26
Druglikeness	-1.5851
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Amides	1
StereoCon

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1 - (E)-3-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

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