[(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] N-phenylcarbamate

Formula:C22H18N4O3ClF3 Mutagenic:none Tumorigenic:high Reproductive Effective:low [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] N-phenylcarbamate is a drug-like molecule.

MolName	[(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] N-phenylcarbamate
MolecularFormula	C22H18N4O3ClF3
Smiles	N/C(/Cc(cc1)ccc1OCc(ncc(C(F)(F)F)c1)c1Cl)=N/OC(Nc1ccccc1)=O
InChI	InChI=1S/C22H18ClF3N4O3/c23-18-11-15(22(24,25)26)12-28-19(18)13-32-17-8-6-14(7-9-17)10-20(27)30-33-21(31)29-16-4-2-1-3-5-16/h1-9,11-12H,10,13H2,(H2,27,30)(H,29,31)
InChIK	ALKAEHXITOTQQU-UHFFFAOYSA-N
TotalMolweight	478.857
Molweight	478.857
MonoisotopicMass	478.101952
CLogP	4.9196
CLogS	-6.101
H Acceptors	7
H Donors	2
TotalSurfaceArea	344.64
Relative PSA	0.23865
PolarSurfaceArea	98.83
Druglikeness	-13.074
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] N-phenylcarbamate | 2 - [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] N-phenylcarbamate

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