N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide

Formula:C15H17N7OClF3 Mutagenic:none Tumorigenic:high Reproductive Effective:low N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide is a drug-like molecule.

MolName	N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide
MolecularFormula	C15H17N7OClF3
Smiles	N/C(/CC#N)=N/NC(CN(CC1)CCN1c(ncc(C(F)(F)F)c1)c1Cl)=O
InChI	InChI=1S/C15H17ClF3N7O/c16-11-7-10(15(17,18)19)8-22-14(11)26-5-3-25(4-6-26)9-13(27)24-23-12(21)1-2-20/h7-8H,1,3-6,9H2,(H2,21,23)(H,24,27)
InChIK	QTJVFFSKKGAZCT-UHFFFAOYSA-N
TotalMolweight	403.795
Molweight	403.795
MonoisotopicMass	403.113519
CLogP	0.8399
CLogS	-3.345
H Acceptors	8
H Donors	2
TotalSurfaceArea	288.97
Relative PSA	0.28692
PolarSurfaceArea	110.64
Druglikeness	-6.6798
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions	acyl-hydrazone
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	4
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon

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1 - N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide | 2 - N-[(E)-(1-amino-2-cyanoethylidene)amino]-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide

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