2-chloro-N-[(E)-(8-chloro-4,1,2-benzothiadiazin-3-ylidene)amino]aniline

Formula:C13H8N4Cl2S Mutagenic:low Tumorigenic:low Reproductive Effective:none 2-chloro-N-[(E)-(8-chloro-4,1,2-benzothiadiazin-3-ylidene)amino]aniline is not a drug-like molecule.

MolName	2-chloro-N-[(E)-(8-chloro-4,1,2-benzothiadiazin-3-ylidene)amino]aniline
MolecularFormula	C13H8N4Cl2S
Smiles	Clc(cccc1)c1N/N=C1/Sc2cccc(Cl)c2N=N1
InChI	InChI=1S/C13H8Cl2N4S/c14-8-4-1-2-6-10(8)16-18-13-19-17-12-9(15)5-3-7-11(12)20-13/h1-7,16H
InChIK	KQUJNUMWDJJJLP-UHFFFAOYSA-N
TotalMolweight	323.207
Molweight	323.207
MonoisotopicMass	321.98467
CLogP	5.1671
CLogS	-6.319
H Acceptors	4
H Donors	1
TotalSurfaceArea	225.3
Relative PSA	0.28176
PolarSurfaceArea	74.41
Druglikeness	-3.1101
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
StereoCon

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