N-[(Z)-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine

Formula:C20H16N4OCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[1-[2-(2,5-dichlorophenoxy)ethyl]pyrrol-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
MolecularFormula	C20H16N4OCl2S
Smiles	Clc(cc1)cc(OCCn2c(/C=N\Nc3nc(cccc4)c4s3)ccc2)c1Cl
InChI	InChI=1S/C20H16Cl2N4OS/c21-14-7-8-16(22)18(12-14)27-11-10-26-9-3-4-15(26)13-23-25-20-24-17-5-1-2-6-19(17)28-20/h1-9,12-13H,10-11H2,(H,24,25)
InChIK	XSTIGKACDKVNFP-UHFFFAOYSA-N
TotalMolweight	431.346
Molweight	431.346
MonoisotopicMass	430.042185
CLogP	7.0393
CLogS	-5.254
H Acceptors	5
H Donors	1
TotalSurfaceArea	315.86
Relative PSA	0.22532
PolarSurfaceArea	79.68
Druglikeness	5.1164
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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