(1E)-2-amino-N-(3,4-dichloroanilino)-2-piperidin-1-ium-1-ylideneethanimidoyl cyanide

Formula:C14H16N5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (1E)-2-amino-N-(3,4-dichloroanilino)-2-piperidin-1-ium-1-ylideneethanimidoyl cyanide is a drug-like molecule.

MolName	(1E)-2-amino-N-(3,4-dichloroanilino)-2-piperidin-1-ium-1-ylideneethanimidoyl cyanide
MolecularFormula	C14H16N5Cl2
Smiles	NC(/C(/C#N)=N/Nc(cc1)cc(Cl)c1Cl)=[N+]1CCCCC1
InChI	InChI=1S/C14H15Cl2N5/c15-11-5-4-10(8-12(11)16)19-20-13(9-17)14(18)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7H2,(H2,18,19)/p+1
InChIK	JVMRJSFBQMPRAS-UHFFFAOYSA-O
TotalMolweight	325.222
Molweight	325.222
MonoisotopicMass	324.078274
CLogP	3.0769
CLogS	-3.698
H Acceptors	5
H Donors	2
TotalSurfaceArea	237.07
Relative PSA	0.19657
PolarSurfaceArea	77.21
Druglikeness	-6.5083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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1 - (1E)-2-amino-N-(3,4-dichloroanilino)-2-piperidin-1-ium-1-ylideneethanimidoyl cyanide | 2 - (1E)-2-amino-N-(3,4-dichloroanilino)-2-piperidin-1-ium-1-ylideneethanimidoyl cyanide

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