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

Formula:C23H17N4O3ClF6S Mutagenic:none Tumorigenic:high Reproductive Effective:low [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] N-[4-(trifluoromethylsulfanyl)phenyl]carbamate is not a drug-like molecule.
MolName[(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] N-[4-(trifluoromethylsulfanyl)phenyl]carbamate
MolecularFormulaC23H17N4O3ClF6S
SmilesN/C(/Cc(cc1)ccc1OCc(ncc(C(F)(F)F)c1)c1Cl)=N/OC(Nc(cc1)ccc1SC(F)(F)F)=O
InChIInChI=1S/C23H17ClF6N4O3S/c24-18-10-14(22(25,26)27)11-32-19(18)12-36-16-5-1-13(2-6-16)9-20(31)34-37-21(35)33-15-3-7-17(8-4-15)38-23(28,29)30/h1-8,10-11H,9,12H2,(H2,31,34)(H,33,35)
InChIKJACBNYSBSYCBQY-UHFFFAOYSA-N
TotalMolweight578.92
Molweight578.92
MonoisotopicMass578.061406
CLogP7.4608
CLogS-7.808
H Acceptors7
H Donors2
TotalSurfaceArea391.59
Relative PSA0.25471
PolarSurfaceArea124.13
Druglikeness-12.649
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritanthigh
Nasty Functions
Shape Index0.65789
Fragments1
Non HAtoms38
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond11
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms7
Symmetricatoms8
Amides1
Aromatic Nitrogens1
StereoCon

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