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

Formula:C13H14N6OClF3 Mutagenic:none Tumorigenic:high Reproductive Effective:low N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]butanamide is a drug-like molecule.

MolName	N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]butanamide
MolecularFormula	C13H14N6OClF3
Smiles	N/C(/CC#N)=N/NC(CCCNc(ncc(C(F)(F)F)c1)c1Cl)=O
InChI	InChI=1S/C13H14ClF3N6O/c14-9-6-8(13(15,16)17)7-21-12(9)20-5-1-2-11(24)23-22-10(19)3-4-18/h6-7H,1-3,5H2,(H2,19,22)(H,20,21)(H,23,24)
InChIK	VZYNDOJJYIMFKF-UHFFFAOYSA-N
TotalMolweight	362.742
Molweight	362.742
MonoisotopicMass	362.08697
CLogP	1.6173
CLogS	-4.34
H Acceptors	7
H Donors	3
TotalSurfaceArea	265.81
Relative PSA	0.32832
PolarSurfaceArea	116.19
Druglikeness	-11.48
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions	acyl-hydrazone
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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

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